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

C4H9ClN4 — CID 52988119

IUPAC(5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride
SMILESCc1nc(CN)n[nH]1.Cl
InChIInChI=1S/C4H8N4.ClH/c1-3-6-4(2-5)8-7-3;/h2,5H2,1H3,(H,6,7,8);1H
InChIKeyVFMTZNPHTFXKJK-UHFFFAOYSA-N
MW148.60 g/mol
LogP-0.01
Rot. Bonds1

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

(5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride (PubChem CID 52988119) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is (5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride
PubChem CID52988119
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name(5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride
SMILESCc1nc(CN)n[nH]1.Cl
InChIInChI=1S/C4H8N4.ClH/c1-3-6-4(2-5)8-7-3;/h2,5H2,1H3,(H,6,7,8);1H
InChIKeyVFMTZNPHTFXKJK-UHFFFAOYSA-N
XLogP-0.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride (CID 52988119) is (5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride is Cc1nc(CN)n[nH]1.Cl.
What is the InChIKey of (5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride?
The InChIKey is VFMTZNPHTFXKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-3-6-4(2-5)8-7-3;/h2,5H2,1H3,(H,6,7,8);1H.
What are the key properties of (5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride?
(5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-1,2,4-triazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 52988119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).