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

C15H15N5O — CID 934049

IUPACN-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide
SMILESCCCn1nnnc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N5O/c1-2-9-20-15(17-18-19-20)16-14(21)13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10H,2,9H2,1H3,(H,16,17,19,21)
InChIKeyJRMJASIIIJVELQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds4

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

N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide (PubChem CID 934049) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide
PubChem CID934049
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide
SMILESCCCn1nnnc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15N5O/c1-2-9-20-15(17-18-19-20)16-14(21)13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10H,2,9H2,1H3,(H,16,17,19,21)
InChIKeyJRMJASIIIJVELQ-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-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide (CID 934049) is N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide is CCCn1nnnc1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide?
The InChIKey is JRMJASIIIJVELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-9-20-15(17-18-19-20)16-14(21)13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10H,2,9H2,1H3,(H,16,17,19,21).
What are the key properties of N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide?
N-(1-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-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 934049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).