(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C18H17N5O — CID 95049996

IUPAC(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H17N5O/c24-17(14-9-5-7-12-6-1-2-8-13(12)14)21-18-20-16(22-23-18)15-10-3-4-11-19-15/h1-4,6,8,10-11,14H,5,7,9H2,(H2,20,21,22,23,24)/t14-/m1/s1
InChIKeyWFQYLXZKQROMGG-CQSZACIVSA-N
MW319.37 g/mol
LogP2.93
Rot. Bonds3

About (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 95049996) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID95049996
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H17N5O/c24-17(14-9-5-7-12-6-1-2-8-13(12)14)21-18-20-16(22-23-18)15-10-3-4-11-19-15/h1-4,6,8,10-11,14H,5,7,9H2,(H2,20,21,22,23,24)/t14-/m1/s1
InChIKeyWFQYLXZKQROMGG-CQSZACIVSA-N
XLogP2.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxamide
CID 130229667
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60613509
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51096870
N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 86710936
1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 87035974
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51933448
6-ethynyl-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 159978818

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 95049996) is (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@@H]1CCCc2ccccc21.
What is the InChIKey of (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is WFQYLXZKQROMGG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N5O/c24-17(14-9-5-7-12-6-1-2-8-13(12)14)21-18-20-16(22-23-18)15-10-3-4-11-19-15/h1-4,6,8,10-11,14H,5,7,9H2,(H2,20,21,22,23,24)/t14-/m1/s1.
What are the key properties of (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 95049996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).