1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide

C11H15N5O — CID 47184223

IUPAC1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1cnnc1CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C11H15N5O/c1-16-8-14-15-9(16)6-13-10(17)11(7-12)4-2-3-5-11/h8H,2-6H2,1H3,(H,13,17)
InChIKeyQPZYRYNZWFWBRG-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.52
Rot. Bonds3

About 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide

1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 47184223) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID47184223
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1cnnc1CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C11H15N5O/c1-16-8-14-15-9(16)6-13-10(17)11(7-12)4-2-3-5-11/h8H,2-6H2,1H3,(H,13,17)
InChIKeyQPZYRYNZWFWBRG-UHFFFAOYSA-N
XLogP0.52
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 47184223) is 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide is Cn1cnnc1CNC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is QPZYRYNZWFWBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-8-14-15-9(16)6-13-10(17)11(7-12)4-2-3-5-11/h8H,2-6H2,1H3,(H,13,17).
What are the key properties of 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 47184223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).