N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

C11H18N4O2 — CID 136849809

IUPACN-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-15-11(17)13-9(14-15)10(16)12-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H,12,16)(H,13,14,17)
InChIKeyDUIICRKMSLDFMH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.56
Rot. Bonds2

About N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 136849809) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID136849809
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-15-11(17)13-9(14-15)10(16)12-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H,12,16)(H,13,14,17)
InChIKeyDUIICRKMSLDFMH-UHFFFAOYSA-N
XLogP0.56
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-iodo-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 142158032
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 66522617
4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
CID 19266124
N-cyclohexyl-6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 66522785
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-3-carboxamide
CID 137049042
N-cyclohexyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633109
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
N-cyclohexyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911212
N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136890080
N-cyclohexyl-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698595

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 136849809) is N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is Cn1nc(C(=O)NC2CCCCCC2)[nH]c1=O.
What is the InChIKey of N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is DUIICRKMSLDFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-11(17)13-9(14-15)10(16)12-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H,12,16)(H,13,14,17).
What are the key properties of N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136849809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).