3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride

C6H13ClN4 — CID 138040764

IUPAC3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride
SMILESCc1nncn1CCCN.Cl
InChIInChI=1S/C6H12N4.ClH/c1-6-9-8-5-10(6)4-2-3-7;/h5H,2-4,7H2,1H3;1H
InChIKeyHGKHPLYQJPQGME-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.36
Rot. Bonds3

About 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride

3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride (PubChem CID 138040764) has the molecular formula C6H13ClN4 and a molecular weight of 176.65 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride
PubChem CID138040764
Molecular FormulaC6H13ClN4
Molecular Weight176.65 g/mol
Exact Mass176.08
IUPAC Name3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride
SMILESCc1nncn1CCCN.Cl
InChIInChI=1S/C6H12N4.ClH/c1-6-9-8-5-10(6)4-2-3-7;/h5H,2-4,7H2,1H3;1H
InChIKeyHGKHPLYQJPQGME-UHFFFAOYSA-N
XLogP0.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19047800
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CID 193439
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CID 12278549
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CID 14180504
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CID 18314526
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CID 18726713
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride (CID 138040764) is 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride is Cc1nncn1CCCN.Cl.
What is the InChIKey of 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride?
The InChIKey is HGKHPLYQJPQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.ClH/c1-6-9-8-5-10(6)4-2-3-7;/h5H,2-4,7H2,1H3;1H.
What are the key properties of 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride?
3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 138040764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).