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

C18H13N5O — CID 162654991

IUPAC(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H13N5O/c19-18-21-16(15-7-3-4-10-20-15)22-23(18)17(24)14-9-8-12-5-1-2-6-13(12)11-14/h1-11H,(H2,19,21,22)
InChIKeyLOMJHEAYYYPWDO-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.76
Rot. Bonds2

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

(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone (PubChem CID 162654991) 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-2-ylmethanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone
PubChem CID162654991
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-2-ylmethanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H13N5O/c19-18-21-16(15-7-3-4-10-20-15)22-23(18)17(24)14-9-8-12-5-1-2-6-13(12)11-14/h1-11H,(H2,19,21,22)
InChIKeyLOMJHEAYYYPWDO-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

4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]benzamide
CID 126480574
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CID 970375
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
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
5-(2-Amino-pyrimidin-4-yl)-2-naphthalen-2-yl-1H-pyrrole-3-carboxamide
CID 49788865
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 57389723
5-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2H-isoquinolin-1-one
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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)-naphthalen-2-ylmethanone?
The IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone (CID 162654991) is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone is Nc1nc(-c2ccccn2)nn1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is LOMJHEAYYYPWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-18-21-16(15-7-3-4-10-20-15)22-23(18)17(24)14-9-8-12-5-1-2-6-13(12)11-14/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-2-ylmethanone?
(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-naphthalen-2-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-2-ylmethanone is sourced from PubChem (CID 162654991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).