5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide

C13H10BrN5O — CID 925603

IUPAC5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCn1nnnc1NC(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C13H10BrN5O/c1-19-13(16-17-18-19)15-12(20)10-6-2-5-9-8(10)4-3-7-11(9)14/h2-7H,1H3,(H,15,16,18,20)
InChIKeyVZSQKMPWZXTLFW-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.38
Rot. Bonds2

About 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide

5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide (PubChem CID 925603) has the molecular formula C13H10BrN5O and a molecular weight of 332.16 g/mol. Its IUPAC name is 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
PubChem CID925603
Molecular FormulaC13H10BrN5O
Molecular Weight332.16 g/mol
Exact Mass331.01
IUPAC Name5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCn1nnnc1NC(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C13H10BrN5O/c1-19-13(16-17-18-19)15-12(20)10-6-2-5-9-8(10)4-3-7-11(9)14/h2-7H,1H3,(H,15,16,18,20)
InChIKeyVZSQKMPWZXTLFW-UHFFFAOYSA-N
XLogP2.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
CID 15029704
5-bromo-N-[(1-propyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 4500954
5-bromonaphthalene-1-carbohydrazide
CID 22115886
4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
CID 167770872
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
5-bromo-N-[4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 1298059
3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 925650
1-methyl-3-(1-methyltetrazol-5-yl)urea
CID 130735572
5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
CID 3491041
5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
CID 3475796
(1-methyltetrazol-5-yl)urea
CID 130674530
2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium
CID 177043614

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide (CID 925603) is 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide is Cn1nnnc1NC(=O)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is VZSQKMPWZXTLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5O/c1-19-13(16-17-18-19)15-12(20)10-6-2-5-9-8(10)4-3-7-11(9)14/h2-7H,1H3,(H,15,16,18,20).
What are the key properties of 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide?
5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 925603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).