2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide

C10H16N4O — CID 104918442

IUPAC2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H16N4O/c1-10(2)5-3-4-7(10)8(15)13-9-11-6-12-14-9/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyZVCGEJPBTBHOCH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.57
Rot. Bonds2

About 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide

2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 104918442) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide
PubChem CID104918442
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H16N4O/c1-10(2)5-3-4-7(10)8(15)13-9-11-6-12-14-9/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyZVCGEJPBTBHOCH-UHFFFAOYSA-N
XLogP1.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide (CID 104918442) is 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is ZVCGEJPBTBHOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2)5-3-4-7(10)8(15)13-9-11-6-12-14-9/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide?
2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 104918442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).