N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide

C9H15N5O3 — CID 20678386

IUPACN,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(C)c1=O)C1CCOCC1
InChIInChI=1S/C9H15N5O3/c1-12(7-3-5-17-6-4-7)8(15)14-9(16)13(2)10-11-14/h7H,3-6H2,1-2H3
InChIKeyXEKMXCQLGUOESH-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.94
Rot. Bonds1

About N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide

N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide (PubChem CID 20678386) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide
PubChem CID20678386
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide
SMILESCN(C(=O)n1nnn(C)c1=O)C1CCOCC1
InChIInChI=1S/C9H15N5O3/c1-12(7-3-5-17-6-4-7)8(15)14-9(16)13(2)10-11-14/h7H,3-6H2,1-2H3
InChIKeyXEKMXCQLGUOESH-UHFFFAOYSA-N
XLogP-0.94
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 115668205
4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63124377
1-cyano-N-methyl-N-(oxan-4-yl)formamide
CID 115172100
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
1-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
CID 115161812
2-amino-2-cyclopropyl-N-methyl-N-(oxan-4-yl)propanamide
CID 60867705
2-fluoro-N,2-dimethyl-N-(oxan-4-yl)propanamide
CID 130165390
1-[methyl(oxan-4-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 146121328
(3R)-1-cycloheptyl-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 26402276
N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 63139219
2-(4-aminopiperidin-1-yl)-N-methyl-N-(oxan-4-yl)acetamide
CID 79328227
1-methyl-1-(oxan-4-yl)thiourea
CID 43610988

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide (CID 20678386) is N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide is CN(C(=O)n1nnn(C)c1=O)C1CCOCC1.
What is the InChIKey of N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide?
The InChIKey is XEKMXCQLGUOESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-12(7-3-5-17-6-4-7)8(15)14-9(16)13(2)10-11-14/h7H,3-6H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide?
N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide has a molecular weight of 241.25 g/mol, XLogP of -0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(oxan-4-yl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 20678386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).