N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide

C12H9N5O — CID 5100620

IUPACN-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cccc2ccccc12
InChIInChI=1S/C12H9N5O/c18-11(13-12-14-16-17-15-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,13,14,15,16,17,18)
InChIKeyNMXPMYRELGDPLZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds2

About N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide

N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide (PubChem CID 5100620) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
PubChem CID5100620
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC NameN-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cccc2ccccc12
InChIInChI=1S/C12H9N5O/c18-11(13-12-14-16-17-15-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,13,14,15,16,17,18)
InChIKeyNMXPMYRELGDPLZ-UHFFFAOYSA-N
XLogP1.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea
CID 4657421
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
CID 70476554
CID 70476554
2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 12962786
3-methyl-2-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267889
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
CID 70353158
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
N-(2-prop-2-enyltetrazol-5-yl)naphthalene-1-carboxamide
CID 17177319

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide (CID 5100620) is N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide is O=C(Nc1nn[nH]n1)c1cccc2ccccc12.
What is the InChIKey of N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is NMXPMYRELGDPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-11(13-12-14-16-17-15-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,13,14,15,16,17,18).
What are the key properties of N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide?
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 5100620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).