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

C10H15N5O — CID 62118666

IUPAC2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCCC(C#N)C(=O)NCc1nncn1C
InChIInChI=1S/C10H15N5O/c1-3-4-8(5-11)10(16)12-6-9-14-13-7-15(9)2/h7-8H,3-4,6H2,1-2H3,(H,12,16)
InChIKeyUXQLPXKZIUCCSK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.37
Rot. Bonds5

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

2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide (PubChem CID 62118666) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
PubChem CID62118666
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCCC(C#N)C(=O)NCc1nncn1C
InChIInChI=1S/C10H15N5O/c1-3-4-8(5-11)10(16)12-6-9-14-13-7-15(9)2/h7-8H,3-4,6H2,1-2H3,(H,12,16)
InChIKeyUXQLPXKZIUCCSK-UHFFFAOYSA-N
XLogP0.37
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The IUPAC name of 2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide (CID 62118666) is 2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The canonical SMILES for 2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide is CCCC(C#N)C(=O)NCc1nncn1C.
What is the InChIKey of 2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The InChIKey is UXQLPXKZIUCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-4-8(5-11)10(16)12-6-9-14-13-7-15(9)2/h7-8H,3-4,6H2,1-2H3,(H,12,16).
What are the key properties of 2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide has a molecular weight of 221.26 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide is sourced from PubChem (CID 62118666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).