3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

C6H10N8 — CID 131007168

IUPAC3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCn1nncc1CNc1n[nH]c(N)n1
InChIInChI=1S/C6H10N8/c1-14-4(3-9-13-14)2-8-6-10-5(7)11-12-6/h3H,2H2,1H3,(H4,7,8,10,11,12)
InChIKeyLDKFSQKQDUKZQK-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.87
Rot. Bonds3

About 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 131007168) has the molecular formula C6H10N8 and a molecular weight of 194.20 g/mol. Its IUPAC name is 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID131007168
Molecular FormulaC6H10N8
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCn1nncc1CNc1n[nH]c(N)n1
InChIInChI=1S/C6H10N8/c1-14-4(3-9-13-14)2-8-6-10-5(7)11-12-6/h3H,2H2,1H3,(H4,7,8,10,11,12)
InChIKeyLDKFSQKQDUKZQK-UHFFFAOYSA-N
XLogP-0.87
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine 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-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 131007168) is 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is Cn1nncc1CNc1n[nH]c(N)n1.
What is the InChIKey of 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is LDKFSQKQDUKZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8/c1-14-4(3-9-13-14)2-8-6-10-5(7)11-12-6/h3H,2H2,1H3,(H4,7,8,10,11,12).
What are the key properties of 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 194.20 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 131007168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).