1-octyl-1,2,4-triazol-3-amine

C10H20N4 — CID 60911063

IUPAC1-octyl-1,2,4-triazol-3-amine
SMILESCCCCCCCCn1cnc(N)n1
InChIInChI=1S/C10H20N4/c1-2-3-4-5-6-7-8-14-9-12-10(11)13-14/h9H,2-8H2,1H3,(H2,11,13)
InChIKeyWBKFRNUWCZBYSX-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.22
Rot. Bonds7

About 1-octyl-1,2,4-triazol-3-amine

1-octyl-1,2,4-triazol-3-amine (PubChem CID 60911063) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-octyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-octyl-1,2,4-triazol-3-amine
PubChem CID60911063
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-octyl-1,2,4-triazol-3-amine
SMILESCCCCCCCCn1cnc(N)n1
InChIInChI=1S/C10H20N4/c1-2-3-4-5-6-7-8-14-9-12-10(11)13-14/h9H,2-8H2,1H3,(H2,11,13)
InChIKeyWBKFRNUWCZBYSX-UHFFFAOYSA-N
XLogP2.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-1,2,4-triazol-3-amine
CID 60910939
6-(3-amino-1,2,4-triazol-1-yl)hexan-1-ol
CID 107703733
(1-octyl-1,2,4-triazol-3-yl)methanol
CID 156537747
1-dodecyl-1,2,4-triazole-3-carbonitrile
CID 62949584
1-(1-pentyl-1,2,4-triazol-3-yl)ethanamine
CID 105359592
1-hexylpyrazole-3,4-diamine
CID 122672209
1-(2-ethoxyethyl)-1,2,4-triazol-3-amine
CID 60911319
1-(2-fluoroethyl)-1,2,4-triazol-3-amine
CID 80698012
1-dodecylimidazol-4-amine
CID 10848375
2-decylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 67144400
3-amino-1-hexylpyrazole-4-carbonitrile
CID 11469588
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098

Frequently Asked Questions

What is the IUPAC name of 1-octyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-octyl-1,2,4-triazol-3-amine (CID 60911063) is 1-octyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-octyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-octyl-1,2,4-triazol-3-amine is CCCCCCCCn1cnc(N)n1.
What is the InChIKey of 1-octyl-1,2,4-triazol-3-amine?
The InChIKey is WBKFRNUWCZBYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-2-3-4-5-6-7-8-14-9-12-10(11)13-14/h9H,2-8H2,1H3,(H2,11,13).
What are the key properties of 1-octyl-1,2,4-triazol-3-amine?
1-octyl-1,2,4-triazol-3-amine has a molecular weight of 196.30 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 60911063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).