3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine

C10H13N5 — CID 100786207

IUPAC3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(C)c(Nc2n[nH]c(N)n2)c1
InChIInChI=1S/C10H13N5/c1-6-3-4-7(2)8(5-6)12-10-13-9(11)14-15-10/h3-5H,1-2H3,(H4,11,12,13,14,15)
InChIKeyYSQWKMGBPKGJQD-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.75
Rot. Bonds2

About 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 100786207) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID100786207
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(C)c(Nc2n[nH]c(N)n2)c1
InChIInChI=1S/C10H13N5/c1-6-3-4-7(2)8(5-6)12-10-13-9(11)14-15-10/h3-5H,1-2H3,(H4,11,12,13,14,15)
InChIKeyYSQWKMGBPKGJQD-UHFFFAOYSA-N
XLogP1.75
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-(2,5-dimethylphenyl)-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

3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine
CID 70093872
3-N-(4-methyl-3-nitrosophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 129131953
3-N-(2-iodophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 130161049
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380
6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine
CID 114070533
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80736572
4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763496
3-N-(3,5-dimethyl-4-phenylsulfanylphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 129015982
3-N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 129132072
3-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 72714709
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine (CID 100786207) is 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine is Cc1ccc(C)c(Nc2n[nH]c(N)n2)c1.
What is the InChIKey of 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is YSQWKMGBPKGJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-6-3-4-7(2)8(5-6)12-10-13-9(11)14-15-10/h3-5H,1-2H3,(H4,11,12,13,14,15).
What are the key properties of 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 203.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 100786207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).