N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide

C13H11N5O — CID 934073

IUPACN-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCn1nnc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C13H11N5O/c1-18-16-13(15-17-18)14-12(19)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,16,19)
InChIKeyGGWSPBFOCOOWNC-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.62
Rot. Bonds2

About N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide

N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide (PubChem CID 934073) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide
PubChem CID934073
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCn1nnc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C13H11N5O/c1-18-16-13(15-17-18)14-12(19)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,16,19)
InChIKeyGGWSPBFOCOOWNC-UHFFFAOYSA-N
XLogP1.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-1H-tetrazol-5-yl)-2-naphthamide
CID 925601
N-[(2-methyltetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 938551
N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 2971416
4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide
CID 645076
4-methyl-N-(2-methyl-5-tetrazolyl)benzamide
CID 653643
4-fluoro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 900462
N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide
CID 934049
N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 953429
4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide
CID 653392
4-phenyl-N-(2-propyl-5-tetrazolyl)benzamide
CID 893341
N-[(2-methyltetrazol-5-yl)carbamothioyl]naphthalene-2-carboxamide
CID 935004
5-chloro-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 935971

Frequently Asked Questions

What is the IUPAC name of N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide (CID 934073) is N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide is Cn1nnc(NC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is GGWSPBFOCOOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-18-16-13(15-17-18)14-12(19)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,16,19).
What are the key properties of N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide?
N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltetrazol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 934073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).