N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide

C13H9BrN4O — CID 81259904

IUPACN-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1)c1ncn[nH]1
InChIInChI=1S/C13H9BrN4O/c14-10-3-1-9-6-11(4-2-8(9)5-10)17-13(19)12-15-7-16-18-12/h1-7H,(H,17,19)(H,15,16,18)
InChIKeyZCGWOYVVTVNWMO-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.97
Rot. Bonds2

About N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide

N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 81259904) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID81259904
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC NameN-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1)c1ncn[nH]1
InChIInChI=1S/C13H9BrN4O/c14-10-3-1-9-6-11(4-2-8(9)5-10)17-13(19)12-15-7-16-18-12/h1-7H,(H,17,19)(H,15,16,18)
InChIKeyZCGWOYVVTVNWMO-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779758
N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 743922
N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741077
N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
CID 63653831
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779767
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide
CID 63928514
2-bromo-N-(6-bromonaphthalen-2-yl)furan-3-carboxamide
CID 106852301
N-[4-[4-[(4-bromophenyl)methylidene]-5-oxo-1,3-oxazolidin-2-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 4166282
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 709599
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 81259904) is N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc2cc(Br)ccc2c1)c1ncn[nH]1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZCGWOYVVTVNWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-10-3-1-9-6-11(4-2-8(9)5-10)17-13(19)12-15-7-16-18-12/h1-7H,(H,17,19)(H,15,16,18).
What are the key properties of N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 317.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 81259904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).