1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide

C19H29N5O2 — CID 166374279

IUPAC1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(=O)NC2CN(C(=O)C3CCCC4(CCCCC4)C3)C2)n1
InChIInChI=1S/C19H29N5O2/c1-23-13-20-16(22-23)17(25)21-15-11-24(12-15)18(26)14-6-5-9-19(10-14)7-3-2-4-8-19/h13-15H,2-12H2,1H3,(H,21,25)
InChIKeyOWFOPQCQMSMBLP-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.90
Rot. Bonds3

About 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide

1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 166374279) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID166374279
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(=O)NC2CN(C(=O)C3CCCC4(CCCCC4)C3)C2)n1
InChIInChI=1S/C19H29N5O2/c1-23-13-20-16(22-23)17(25)21-15-11-24(12-15)18(26)14-6-5-9-19(10-14)7-3-2-4-8-19/h13-15H,2-12H2,1H3,(H,21,25)
InChIKeyOWFOPQCQMSMBLP-UHFFFAOYSA-N
XLogP1.90
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694
N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131685892
N-[4-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 138007267
methyl 2,2-dimethyl-1-[(1-methyl-1,2,4-triazole-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 166260928
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066371
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119163910
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71918106
spiro[4.5]decane-3-carboxylic acid
CID 13443385
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 126795752
1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 171993861
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 166374279) is 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide is Cn1cnc(C(=O)NC2CN(C(=O)C3CCCC4(CCCCC4)C3)C2)n1.
What is the InChIKey of 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is OWFOPQCQMSMBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-23-13-20-16(22-23)17(25)21-15-11-24(12-15)18(26)14-6-5-9-19(10-14)7-3-2-4-8-19/h13-15H,2-12H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(spiro[5.5]undecane-4-carbonyl)azetidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166374279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).