N-cycloheptyl-2-methyltriazole-4-carboxamide

C11H18N4O — CID 110691433

IUPACN-cycloheptyl-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C11H18N4O/c1-15-12-8-10(14-15)11(16)13-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,16)
InChIKeySCSFBIXGPVBMEX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.27
Rot. Bonds2

About N-cycloheptyl-2-methyltriazole-4-carboxamide

N-cycloheptyl-2-methyltriazole-4-carboxamide (PubChem CID 110691433) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cycloheptyl-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyltriazole-4-carboxamide
PubChem CID110691433
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-cycloheptyl-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C11H18N4O/c1-15-12-8-10(14-15)11(16)13-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,16)
InChIKeySCSFBIXGPVBMEX-UHFFFAOYSA-N
XLogP1.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide
CID 126978139
N-(2-bromocyclopentyl)-2-methyltriazole-4-carboxamide
CID 130521070
N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
CID 114284665
N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide
CID 110691520
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyltriazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-methyltriazole-4-carboxamide (CID 110691433) is N-cycloheptyl-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methyltriazole-4-carboxamide is Cn1ncc(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-2-methyltriazole-4-carboxamide?
The InChIKey is SCSFBIXGPVBMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-12-8-10(14-15)11(16)13-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,16).
What are the key properties of N-cycloheptyl-2-methyltriazole-4-carboxamide?
N-cycloheptyl-2-methyltriazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 110691433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).