(2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone

C10H11N5O — CID 110485968

IUPAC(2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone
SMILESCc1ccc(N)c(C(=O)n2cnc(N)n2)c1
InChIInChI=1S/C10H11N5O/c1-6-2-3-8(11)7(4-6)9(16)15-5-13-10(12)14-15/h2-5H,11H2,1H3,(H2,12,14)
InChIKeyIBRYPWAJNUVNQR-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.44
Rot. Bonds1

About (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone

(2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone (PubChem CID 110485968) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone
PubChem CID110485968
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name(2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone
SMILESCc1ccc(N)c(C(=O)n2cnc(N)n2)c1
InChIInChI=1S/C10H11N5O/c1-6-2-3-8(11)7(4-6)9(16)15-5-13-10(12)14-15/h2-5H,11H2,1H3,(H2,12,14)
InChIKeyIBRYPWAJNUVNQR-UHFFFAOYSA-N
XLogP0.44
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-1,2,4-triazol-1-yl)-(2-methylquinolin-4-yl)methanone
CID 110485308
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
ethyl 4-(2-amino-5-methylbenzoyl)piperazine-1-carboxylate
CID 62075004
1-(2-amino-5-methylphenyl)prop-2-yn-1-one
CID 116581366
iodo 2-amino-5-methylbenzoate
CID 174945201
2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide
CID 62308374
(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 55249335
(2-amino-5-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55083080
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane
CID 143489753
2-amino-N-methoxy-5-methylbenzamide
CID 64974828
1-[2-[(2-amino-5-methylbenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107500533

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone (CID 110485968) is (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone is Cc1ccc(N)c(C(=O)n2cnc(N)n2)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone?
The InChIKey is IBRYPWAJNUVNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-6-2-3-8(11)7(4-6)9(16)15-5-13-10(12)14-15/h2-5H,11H2,1H3,(H2,12,14).
What are the key properties of (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone?
(2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone has a molecular weight of 217.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 110485968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).