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

C11H21N5O — CID 64530741

IUPAC6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
SMILESNCCCCCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O/c12-7-3-1-2-6-11(17)13-8-4-5-10-14-9-15-16-10/h9H,1-8,12H2,(H,13,17)(H,14,15,16)
InChIKeyMOVJXOCFSNQGTH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.37
Rot. Bonds9

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

6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide (PubChem CID 64530741) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
PubChem CID64530741
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
SMILESNCCCCCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O/c12-7-3-1-2-6-11(17)13-8-4-5-10-14-9-15-16-10/h9H,1-8,12H2,(H,13,17)(H,14,15,16)
InChIKeyMOVJXOCFSNQGTH-UHFFFAOYSA-N
XLogP0.37
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-propyl-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 3236314
3,3,3-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64518376
2,2,2-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64546522
3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64547760
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65711584
4,4,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 65711979
4,4,4-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 65711980
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79001352
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929294
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932631
4,4-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 81932652

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide?
The IUPAC name of 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide (CID 64530741) is 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide.
What is the SMILES notation for 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide?
The canonical SMILES for 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide is NCCCCCC(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide?
The InChIKey is MOVJXOCFSNQGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c12-7-3-1-2-6-11(17)13-8-4-5-10-14-9-15-16-10/h9H,1-8,12H2,(H,13,17)(H,14,15,16).
What are the key properties of 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide?
6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide has a molecular weight of 239.32 g/mol, XLogP of 0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide is sourced from PubChem (CID 64530741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).