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

C10H13N5 — CID 6491995

IUPAC3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(CNc2n[nH]c(N)n2)cc1
InChIInChI=1S/C10H13N5/c1-7-2-4-8(5-3-7)6-12-10-13-9(11)14-15-10/h2-5H,6H2,1H3,(H4,11,12,13,14,15)
InChIKeySLHNRUFBMRWCLR-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.31
Rot. Bonds3

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

3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 6491995) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID6491995
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(CNc2n[nH]c(N)n2)cc1
InChIInChI=1S/C10H13N5/c1-7-2-4-8(5-3-7)6-12-10-13-9(11)14-15-10/h2-5H,6H2,1H3,(H4,11,12,13,14,15)
InChIKeySLHNRUFBMRWCLR-UHFFFAOYSA-N
XLogP1.31
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-[(4-methylphenyl)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

Related Compounds

1-methyl-N-(2-methylbenzyl)-1H-tetrazol-5-amine
CID 834605
1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
CID 4727590
1H-1,2,4-Triazol-3-amine, 5-(methylthio)-N-(phenylmethyl)-
CID 834424
Mls003115328
CID 318161
(4-Isopropyl-benzyl)-(1-propyl-1H-tetrazol-5-yl)-amine
CID 2964094
N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725597
N-(2-fluorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725628
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165413
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 118165472
N-benzyl-1H-1,2,4-triazol-5-amine
CID 313645
1-methyl-N-(4-methylbenzyl)-1H-tetrazol-5-amine
CID 4727544
5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine
CID 1485849

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 6491995) is 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine is Cc1ccc(CNc2n[nH]c(N)n2)cc1.
What is the InChIKey of 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is SLHNRUFBMRWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7-2-4-8(5-3-7)6-12-10-13-9(11)14-15-10/h2-5H,6H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 203.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 6491995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).