6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide

C15H13BrN4O — CID 115283343

IUPAC6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H13BrN4O/c16-13-4-3-10-7-12(2-1-11(10)8-13)15(21)17-6-5-14-18-9-19-20-14/h1-4,7-9H,5-6H2,(H,17,21)(H,18,19,20)
InChIKeySEOGTHRZSHNMDM-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.69
Rot. Bonds4

About 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide

6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 115283343) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
PubChem CID115283343
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H13BrN4O/c16-13-4-3-10-7-12(2-1-11(10)8-13)15(21)17-6-5-14-18-9-19-20-14/h1-4,7-9H,5-6H2,(H,17,21)(H,18,19,20)
InChIKeySEOGTHRZSHNMDM-UHFFFAOYSA-N
XLogP2.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2H-chromene-3-carboxamide
CID 64546411
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 64532197
1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 64532003
4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64523789
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64547578
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 64546842
4-prop-2-enoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64546203
3-hydroxy-4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103725336
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide (CID 115283343) is 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide is O=C(NCCc1ncn[nH]1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is SEOGTHRZSHNMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-13-4-3-10-7-12(2-1-11(10)8-13)15(21)17-6-5-14-18-9-19-20-14/h1-4,7-9H,5-6H2,(H,17,21)(H,18,19,20).
What are the key properties of 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide?
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 115283343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).