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

C16H15N5O — CID 162651731

IUPAC(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1
InChIInChI=1S/C16H15N5O/c1-2-11-6-8-12(9-7-11)15(22)21-16(17)19-14(20-21)13-5-3-4-10-18-13/h3-10H,2H2,1H3,(H2,17,19,20)
InChIKeyWINMHXQNIIDEPT-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.17
Rot. Bonds3

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

(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone (PubChem CID 162651731) 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)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone
PubChem CID162651731
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1
InChIInChI=1S/C16H15N5O/c1-2-11-6-8-12(9-7-11)15(22)21-16(17)19-14(20-21)13-5-3-4-10-18-13/h3-10H,2H2,1H3,(H2,17,19,20)
InChIKeyWINMHXQNIIDEPT-UHFFFAOYSA-N
XLogP2.17
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]benzamide
CID 126480574
1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
2-(4-Methyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone
CID 938135
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
Selective PI3Kdelta Inhibitor 1
CID 137661516
N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 707946
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
CID 3613559
1-[5-(Benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 4686951
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 24959046
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)-N-methylbenzamide
CID 24959409

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone (CID 162651731) is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1.
What is the InChIKey of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone?
The InChIKey is WINMHXQNIIDEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-2-11-6-8-12(9-7-11)15(22)21-16(17)19-14(20-21)13-5-3-4-10-18-13/h3-10H,2H2,1H3,(H2,17,19,20).
What are the key properties of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone?
(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-ethylphenyl)methanone has a molecular weight of 293.33 g/mol, XLogP of 2.17, 3 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)-(4-ethylphenyl)methanone is sourced from PubChem (CID 162651731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).