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

C10H19N5O — CID 105056271

IUPAC6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-8(10-12-7-13-15-10)14-9(16)5-3-2-4-6-11/h7-8H,2-6,11H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyZPGSBUCJMBERKD-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.50
Rot. Bonds7

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

6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide (PubChem CID 105056271) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
PubChem CID105056271
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-8(10-12-7-13-15-10)14-9(16)5-3-2-4-6-11/h7-8H,2-6,11H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyZPGSBUCJMBERKD-UHFFFAOYSA-N
XLogP0.50
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.50
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-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282651
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282590
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
3-(2-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 107329630
2-(carbamoylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725995
3-(1H-benzimidazol-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725840
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide (CID 105056271) is 6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide is CC(NC(=O)CCCCCN)c1ncn[nH]1.
What is the InChIKey of 6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
The InChIKey is ZPGSBUCJMBERKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(10-12-7-13-15-10)14-9(16)5-3-2-4-6-11/h7-8H,2-6,11H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of 6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide?
6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide has a molecular weight of 225.30 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide is sourced from PubChem (CID 105056271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).