2-methyltriazol-4-amine;hydrochloride

C3H7ClN4 — CID 50998648

IUPAC2-methyltriazol-4-amine;hydrochloride
SMILESCl.Cn1ncc(N)n1
InChIInChI=1S/C3H6N4.ClH/c1-7-5-2-3(4)6-7;/h2H,1H3,(H2,4,6);1H
InChIKeyFVKCKPOCZHAKFI-UHFFFAOYSA-N
MW134.57 g/mol
LogP-0.18
Rot. Bonds

About 2-methyltriazol-4-amine;hydrochloride

2-methyltriazol-4-amine;hydrochloride (PubChem CID 50998648) has the molecular formula C3H7ClN4 and a molecular weight of 134.57 g/mol. Its IUPAC name is 2-methyltriazol-4-amine;hydrochloride.

Molecular Properties

Compound Name2-methyltriazol-4-amine;hydrochloride
PubChem CID50998648
Molecular FormulaC3H7ClN4
Molecular Weight134.57 g/mol
Exact Mass134.04
IUPAC Name2-methyltriazol-4-amine;hydrochloride
SMILESCl.Cn1ncc(N)n1
InChIInChI=1S/C3H6N4.ClH/c1-7-5-2-3(4)6-7;/h2H,1H3,(H2,4,6);1H
InChIKeyFVKCKPOCZHAKFI-UHFFFAOYSA-N
XLogP-0.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyltriazol-4-amine;hydrochloride?
The IUPAC name of 2-methyltriazol-4-amine;hydrochloride (CID 50998648) is 2-methyltriazol-4-amine;hydrochloride.
What is the SMILES notation for 2-methyltriazol-4-amine;hydrochloride?
The canonical SMILES for 2-methyltriazol-4-amine;hydrochloride is Cl.Cn1ncc(N)n1.
What is the InChIKey of 2-methyltriazol-4-amine;hydrochloride?
The InChIKey is FVKCKPOCZHAKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.ClH/c1-7-5-2-3(4)6-7;/h2H,1H3,(H2,4,6);1H.
What are the key properties of 2-methyltriazol-4-amine;hydrochloride?
2-methyltriazol-4-amine;hydrochloride has a molecular weight of 134.57 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltriazol-4-amine;hydrochloride is sourced from PubChem (CID 50998648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).