(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone

C18H13N5O — CID 162642852

IUPAC(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H13N5O/c19-18-21-16(15-10-3-4-11-20-15)22-23(18)17(24)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H2,19,21,22)
InChIKeyJSYAAQWLHIRCII-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.76
Rot. Bonds2

About (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone

(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone (PubChem CID 162642852) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone
PubChem CID162642852
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H13N5O/c19-18-21-16(15-10-3-4-11-20-15)22-23(18)17(24)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H2,19,21,22)
InChIKeyJSYAAQWLHIRCII-UHFFFAOYSA-N
XLogP2.76
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079
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
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
5-Naphthalen-1-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 757874
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
3''''-Fluoro-5''''-(5-pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-carboxylic acid amide
CID 44395645
5-(2-Amino-pyrimidin-4-yl)-2-naphthalen-1-yl-1H-pyrrole-3-carboxamide
CID 49788864

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone (CID 162642852) is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone is Nc1nc(-c2ccccn2)nn1C(=O)c1cccc2ccccc12.
What is the InChIKey of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is JSYAAQWLHIRCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-18-21-16(15-10-3-4-11-20-15)22-23(18)17(24)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H2,19,21,22).
What are the key properties of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone?
(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 315.34 g/mol, XLogP of 2.76, 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)-naphthalen-1-ylmethanone is sourced from PubChem (CID 162642852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).