(3,5-dimethyl-1,2,4-triazol-4-yl)methanamine

C5H10N4 — CID 126601322

IUPAC(3,5-dimethyl-1,2,4-triazol-4-yl)methanamine
SMILESCc1nnc(C)n1CN
InChIInChI=1S/C5H10N4/c1-4-7-8-5(2)9(4)3-6/h3,6H2,1-2H3
InChIKeyXTOGJUCCEZAKFZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.19
Rot. Bonds1

About (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine

(3,5-dimethyl-1,2,4-triazol-4-yl)methanamine (PubChem CID 126601322) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1,2,4-triazol-4-yl)methanamine
PubChem CID126601322
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name(3,5-dimethyl-1,2,4-triazol-4-yl)methanamine
SMILESCc1nnc(C)n1CN
InChIInChI=1S/C5H10N4/c1-4-7-8-5(2)9(4)3-6/h3,6H2,1-2H3
InChIKeyXTOGJUCCEZAKFZ-UHFFFAOYSA-N
XLogP-0.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine?
The IUPAC name of (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine (CID 126601322) is (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine?
The canonical SMILES for (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine is Cc1nnc(C)n1CN.
What is the InChIKey of (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine?
The InChIKey is XTOGJUCCEZAKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-4-7-8-5(2)9(4)3-6/h3,6H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine?
(3,5-dimethyl-1,2,4-triazol-4-yl)methanamine has a molecular weight of 126.16 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2,4-triazol-4-yl)methanamine is sourced from PubChem (CID 126601322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).