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

C6H12N4 — CID 62693883

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1cnnc1C(C)(C)N
InChIInChI=1S/C6H12N4/c1-6(2,7)5-9-8-4-10(5)3/h4H,7H2,1-3H3
InChIKeyHXSMBZCGJIOEQR-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.01
Rot. Bonds1

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

2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 62693883) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID62693883
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1cnnc1C(C)(C)N
InChIInChI=1S/C6H12N4/c1-6(2,7)5-9-8-4-10(5)3/h4H,7H2,1-3H3
InChIKeyHXSMBZCGJIOEQR-UHFFFAOYSA-N
XLogP0.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine (CID 62693883) is 2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine is Cn1cnnc1C(C)(C)N.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is HXSMBZCGJIOEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(2,7)5-9-8-4-10(5)3/h4H,7H2,1-3H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine?
2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 140.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 62693883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).