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

C16H15N5O — CID 162643031

IUPAC(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1C
InChIInChI=1S/C16H15N5O/c1-10-6-7-12(9-11(10)2)15(22)21-16(17)19-14(20-21)13-5-3-4-8-18-13/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyDZGOQOXWBUEYTK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.23
Rot. Bonds2

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

(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone (PubChem CID 162643031) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone
PubChem CID162643031
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1C
InChIInChI=1S/C16H15N5O/c1-10-6-7-12(9-11(10)2)15(22)21-16(17)19-14(20-21)13-5-3-4-8-18-13/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyDZGOQOXWBUEYTK-UHFFFAOYSA-N
XLogP2.23
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone (CID 162643031) is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1C.
What is the InChIKey of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone?
The InChIKey is DZGOQOXWBUEYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-6-7-12(9-11(10)2)15(22)21-16(17)19-14(20-21)13-5-3-4-8-18-13/h3-9H,1-2H3,(H2,17,19,20).
What are the key properties of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone?
(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone has a molecular weight of 293.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 162643031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).