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

C11H18N4O — CID 104918546

IUPAC2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C11H18N4O/c1-11(2)5-3-4-8(11)10(16)12-6-9-13-7-14-15-9/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyLTZQBMKERMURDM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.25
Rot. Bonds3

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

2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 104918546) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
PubChem CID104918546
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C11H18N4O/c1-11(2)5-3-4-8(11)10(16)12-6-9-13-7-14-15-9/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyLTZQBMKERMURDM-UHFFFAOYSA-N
XLogP1.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.25
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-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide (CID 104918546) is 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is LTZQBMKERMURDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2)5-3-4-8(11)10(16)12-6-9-13-7-14-15-9/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide?
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.25, 3 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-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 104918546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).