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

C10H13N5O — CID 80710034

IUPAC1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
SMILESCn1ncnc1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C10H13N5O/c1-15-9(12-7-13-15)14-8(16)10(6-11)4-2-3-5-10/h7H,2-5H2,1H3,(H,12,13,14,16)
InChIKeyRVGCIZNZBURULX-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.84
Rot. Bonds2

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

1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 80710034) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
PubChem CID80710034
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
SMILESCn1ncnc1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C10H13N5O/c1-15-9(12-7-13-15)14-8(16)10(6-11)4-2-3-5-10/h7H,2-5H2,1H3,(H,12,13,14,16)
InChIKeyRVGCIZNZBURULX-UHFFFAOYSA-N
XLogP0.84
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide (CID 80710034) is 1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide is Cn1ncnc1NC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is RVGCIZNZBURULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15-9(12-7-13-15)14-8(16)10(6-11)4-2-3-5-10/h7H,2-5H2,1H3,(H,12,13,14,16).
What are the key properties of 1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 80710034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).