(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride

C5H11ClN4 — CID 119056912

IUPAC(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
SMILESCCc1n[nH]c(CN)n1.Cl
InChIInChI=1S/C5H10N4.ClH/c1-2-4-7-5(3-6)9-8-4;/h2-3,6H2,1H3,(H,7,8,9);1H
InChIKeyOARHBHDWTUZKQC-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.25
Rot. Bonds2

About (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride

(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride (PubChem CID 119056912) has the molecular formula C5H11ClN4 and a molecular weight of 162.62 g/mol. Its IUPAC name is (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
PubChem CID119056912
Molecular FormulaC5H11ClN4
Molecular Weight162.62 g/mol
Exact Mass162.07
IUPAC Name(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
SMILESCCc1n[nH]c(CN)n1.Cl
InChIInChI=1S/C5H10N4.ClH/c1-2-4-7-5(3-6)9-8-4;/h2-3,6H2,1H3,(H,7,8,9);1H
InChIKeyOARHBHDWTUZKQC-UHFFFAOYSA-N
XLogP0.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride (CID 119056912) is (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride is CCc1n[nH]c(CN)n1.Cl.
What is the InChIKey of (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
The InChIKey is OARHBHDWTUZKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.ClH/c1-2-4-7-5(3-6)9-8-4;/h2-3,6H2,1H3,(H,7,8,9);1H.
What are the key properties of (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 119056912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).