N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide

C15H15N5O — CID 893968

IUPACN-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide
SMILESCCCn1nnc(NC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C15H15N5O/c1-2-9-20-18-15(17-19-20)16-14(21)13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10H,2,9H2,1H3,(H,16,18,21)
InChIKeyHJFAJHMHUFEBME-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds4

About N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide

N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide (PubChem CID 893968) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide
PubChem CID893968
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide
SMILESCCCn1nnc(NC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C15H15N5O/c1-2-9-20-18-15(17-19-20)16-14(21)13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10H,2,9H2,1H3,(H,16,18,21)
InChIKeyHJFAJHMHUFEBME-UHFFFAOYSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.49
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
4-ethyl-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 953045

Frequently Asked Questions

What is the IUPAC name of N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide (CID 893968) is N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide is CCCn1nnc(NC(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide?
The InChIKey is HJFAJHMHUFEBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-9-20-18-15(17-19-20)16-14(21)13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10H,2,9H2,1H3,(H,16,18,21).
What are the key properties of N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide?
N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propyltetrazol-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 893968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).