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

C15H15N5O — CID 934042

IUPACN-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCCCn1nnc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C15H15N5O/c1-2-10-20-18-15(17-19-20)16-14(21)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,16,18,21)
InChIKeyKFYCJOFFCXDFMD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds4

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

N-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide (PubChem CID 934042) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide
PubChem CID934042
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCCCn1nnc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C15H15N5O/c1-2-10-20-18-15(17-19-20)16-14(21)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,16,18,21)
InChIKeyKFYCJOFFCXDFMD-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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Frequently Asked Questions

What is the IUPAC name of N-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide (CID 934042) is N-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide is CCCn1nnc(NC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is KFYCJOFFCXDFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-10-20-18-15(17-19-20)16-14(21)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,16,18,21).
What are the key properties of N-(2-propyltetrazol-5-yl)naphthalene-1-carboxamide?
N-(2-propyltetrazol-5-yl)naphthalene-1-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-1-carboxamide is sourced from PubChem (CID 934042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).