6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide

C13H23N5O2 — CID 64547268

IUPAC6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H23N5O2/c1-11(19)14-8-4-2-3-7-13(20)15-9-5-6-12-16-10-17-18-12/h10H,2-9H2,1H3,(H,14,19)(H,15,20)(H,16,17,18)
InChIKeyKVIGRKSVMHCNNY-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.55
Rot. Bonds10

About 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide

6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide (PubChem CID 64547268) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
PubChem CID64547268
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C13H23N5O2/c1-11(19)14-8-4-2-3-7-13(20)15-9-5-6-12-16-10-17-18-12/h10H,2-9H2,1H3,(H,14,19)(H,15,20)(H,16,17,18)
InChIKeyKVIGRKSVMHCNNY-UHFFFAOYSA-N
XLogP0.55
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548082
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
4-oxo-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]but-2-enoic acid
CID 77044355
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070
4-amino-4-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64530541

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide?
The IUPAC name of 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide (CID 64547268) is 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide is CC(=O)NCCCCCC(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide?
The InChIKey is KVIGRKSVMHCNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-11(19)14-8-4-2-3-7-13(20)15-9-5-6-12-16-10-17-18-12/h10H,2-9H2,1H3,(H,14,19)(H,15,20)(H,16,17,18).
What are the key properties of 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide?
6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide has a molecular weight of 281.36 g/mol, XLogP of 0.55, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide is sourced from PubChem (CID 64547268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).