2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide

C11H17N5O — CID 64530178

IUPAC2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
SMILESCCCC(C#N)C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H17N5O/c1-2-4-9(7-12)11(17)13-6-3-5-10-14-8-15-16-10/h8-9H,2-6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyZHPSQYBLUMOTEF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.79
Rot. Bonds7

About 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide

2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide (PubChem CID 64530178) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
PubChem CID64530178
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
SMILESCCCC(C#N)C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H17N5O/c1-2-4-9(7-12)11(17)13-6-3-5-10-14-8-15-16-10/h8-9H,2-6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyZHPSQYBLUMOTEF-UHFFFAOYSA-N
XLogP0.79
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64532327
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
(2S)-2-amino-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64531146
propan-2-yl N-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 64530259
5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546656
2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 113270096
2,2-dimethyl-N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]propanamide
CID 64547456
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
2-[carboxymethyl-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 64530785
(2S)-3-methyl-2-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]pentanoic acid
CID 64530796
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
The IUPAC name of 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide (CID 64530178) is 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
The canonical SMILES for 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide is CCCC(C#N)C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
The InChIKey is ZHPSQYBLUMOTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-4-9(7-12)11(17)13-6-3-5-10-14-8-15-16-10/h8-9H,2-6H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide?
2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide has a molecular weight of 235.29 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide is sourced from PubChem (CID 64530178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).