5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine

C10H13N5 — CID 63021563

IUPAC5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine
SMILESCc1cc(N)cc(-c2nc(N)n[nH]2)c1C
InChIInChI=1S/C10H13N5/c1-5-3-7(11)4-8(6(5)2)9-13-10(12)15-14-9/h3-4H,11H2,1-2H3,(H3,12,13,14,15)
InChIKeyNOOWLRYBBYPYEZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.25
Rot. Bonds1

About 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine

5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 63021563) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID63021563
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine
SMILESCc1cc(N)cc(-c2nc(N)n[nH]2)c1C
InChIInChI=1S/C10H13N5/c1-5-3-7(11)4-8(6(5)2)9-13-10(12)15-14-9/h3-4H,11H2,1-2H3,(H3,12,13,14,15)
InChIKeyNOOWLRYBBYPYEZ-UHFFFAOYSA-N
XLogP1.25
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine (CID 63021563) is 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine is Cc1cc(N)cc(-c2nc(N)n[nH]2)c1C.
What is the InChIKey of 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is NOOWLRYBBYPYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-5-3-7(11)4-8(6(5)2)9-13-10(12)15-14-9/h3-4H,11H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine?
5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 203.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2,3-dimethylphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 63021563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).