3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride

C5H11ClN4 — CID 91654460

IUPAC3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCc1ncn[nH]1
InChIInChI=1S/C5H10N4.ClH/c6-3-1-2-5-7-4-8-9-5;/h4H,1-3,6H2,(H,7,8,9);1H
InChIKeyCRVQSPMHNYLLDX-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.12
Rot. Bonds3

About 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride

3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride (PubChem CID 91654460) has the molecular formula C5H11ClN4 and a molecular weight of 162.62 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride
PubChem CID91654460
Molecular FormulaC5H11ClN4
Molecular Weight162.62 g/mol
Exact Mass162.07
IUPAC Name3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCc1ncn[nH]1
InChIInChI=1S/C5H10N4.ClH/c6-3-1-2-5-7-4-8-9-5;/h4H,1-3,6H2,(H,7,8,9);1H
InChIKeyCRVQSPMHNYLLDX-UHFFFAOYSA-N
XLogP0.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride (CID 91654460) is 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride is Cl.NCCCc1ncn[nH]1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride?
The InChIKey is CRVQSPMHNYLLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.ClH/c6-3-1-2-5-7-4-8-9-5;/h4H,1-3,6H2,(H,7,8,9);1H.
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride?
3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 91654460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).