4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine hydrochloride

• ChemBase编号: 144314
• 分子式: C6H11ClN4
• 平均质量: 174.63134
• 单一同位素质量: 174.06722405
• SMILES: c1c(c2n(n1)CCCN2)N.Cl
• Canonical SMILES: Nc1cnn2c1NCCC2.Cl
• InChI: InChI=1S/C6H10N4.ClH/c7-5-4-9-10-3-1-2-8-6(5)10;/h4,8H,1-3,7H2;1H
• InChIKey: SQUYNDFXZPKERI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine hydrochloride
• IUPAC传统名: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine hydrochloride
• 别名: 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-3-amine hydrochloride

登记号

• MDL号: MFCD13186088
• PubChem SID: 162238529
• PubChem CID: 53398954

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.1113198
• LogD (pH = 7.4): -0.9792898
• Log P: -0.97731614
• 摩尔折射率: 52.0053 cm^3
• 极化性: 14.142668 Å^3
• 极化表面积: 55.87 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C6H11ClN4

详细说明

Sigma Aldrich - CBR01020

Analysis Note
may contain up to 1.5 eq HCl
Other Notes
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