N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide

C13H23N5O2 — CID 19973064

IUPACN,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1nnn(C2CCCCC2C)c1=O
InChIInChI=1S/C13H23N5O2/c1-4-16(5-2)12(19)18-13(20)17(14-15-18)11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3
InChIKeyCOMDSMNWLGHYCX-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.50
Rot. Bonds3

About N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide

N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide (PubChem CID 19973064) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide
PubChem CID19973064
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1nnn(C2CCCCC2C)c1=O
InChIInChI=1S/C13H23N5O2/c1-4-16(5-2)12(19)18-13(20)17(14-15-18)11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3
InChIKeyCOMDSMNWLGHYCX-UHFFFAOYSA-N
XLogP1.50
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide (CID 19973064) is N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide is CCN(CC)C(=O)n1nnn(C2CCCCC2C)c1=O.
What is the InChIKey of N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is COMDSMNWLGHYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-16(5-2)12(19)18-13(20)17(14-15-18)11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide?
N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 19973064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).