N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide

C14H19N7O2 — CID 19070649

IUPACN-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2cncnc2)c1=O)C1CCCCC1
InChIInChI=1S/C14H19N7O2/c1-2-19(11-6-4-3-5-7-11)13(22)21-14(23)20(17-18-21)12-8-15-10-16-9-12/h8-11H,2-7H2,1H3
InChIKeyBCJFGRAEHMBNSF-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.84
Rot. Bonds3

About N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide

N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide (PubChem CID 19070649) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide
PubChem CID19070649
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2cncnc2)c1=O)C1CCCCC1
InChIInChI=1S/C14H19N7O2/c1-2-19(11-6-4-3-5-7-11)13(22)21-14(23)20(17-18-21)12-8-15-10-16-9-12/h8-11H,2-7H2,1H3
InChIKeyBCJFGRAEHMBNSF-UHFFFAOYSA-N
XLogP0.84
TPSA98.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide (CID 19070649) is N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2cncnc2)c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide?
The InChIKey is BCJFGRAEHMBNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-2-19(11-6-4-3-5-7-11)13(22)21-14(23)20(17-18-21)12-8-15-10-16-9-12/h8-11H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide?
N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide is sourced from PubChem (CID 19070649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).