N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide

C13H10N4O — CID 3973313

IUPACN-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide
SMILESO=C(Nn1cnnc1)c1cccc2ccccc12
InChIInChI=1S/C13H10N4O/c18-13(16-17-8-14-15-9-17)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,18)
InChIKeyPCFTYPBELGXOGG-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.82
Rot. Bonds2

About N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide

N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide (PubChem CID 3973313) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide
PubChem CID3973313
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide
SMILESO=C(Nn1cnnc1)c1cccc2ccccc12
InChIInChI=1S/C13H10N4O/c18-13(16-17-8-14-15-9-17)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,18)
InChIKeyPCFTYPBELGXOGG-UHFFFAOYSA-N
XLogP1.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide (CID 3973313) is N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide is O=C(Nn1cnnc1)c1cccc2ccccc12.
What is the InChIKey of N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide?
The InChIKey is PCFTYPBELGXOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13(16-17-8-14-15-9-17)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,18).
What are the key properties of N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide?
N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 3973313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).