5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine

C11H22N4 — CID 12011791

IUPAC5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)CCCCCCc1nc(N)n[nH]1
InChIInChI=1S/C11H22N4/c1-9(2)7-5-3-4-6-8-10-13-11(12)15-14-10/h9H,3-8H2,1-2H3,(H3,12,13,14,15)
InChIKeyUETYABRHVAYQLJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.54
Rot. Bonds7

About 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine

5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine (PubChem CID 12011791) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine
PubChem CID12011791
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)CCCCCCc1nc(N)n[nH]1
InChIInChI=1S/C11H22N4/c1-9(2)7-5-3-4-6-8-10-13-11(12)15-14-10/h9H,3-8H2,1-2H3,(H3,12,13,14,15)
InChIKeyUETYABRHVAYQLJ-UHFFFAOYSA-N
XLogP2.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-1H-1,2,4-triazol-5-amine
CID 3162005
3-Heptyl-1H-1,2,4-triazol-5-amine
CID 566931
5-(propan-2-yl)-4H-1,2,4-triazol-3-amine
CID 2756463
3-Nonyl-1H-1,2,4-triazol-5-amine
CID 566934
5-Isobutyl-4H-1,2,4-triazol-3-amine
CID 4366578
5-butyl-1H-1,2,4-triazol-3-amine
CID 3614305
5-cyclobutyl-1H-1,2,4-triazol-3-amine
CID 2757984
5-cyclopentyl-4H-1,2,4-triazol-3-amine
CID 4552098
5-[7-(3-amino-1H-1,2,4-triazol-5-yl)heptyl]-1H-1,2,4-triazol-3-amine
CID 366788
5-Undecyl-1h-1,2,4-triazol-3-amine
CID 292323
rac-5-[(1R,2R)-2-methylcyclopropyl]-4H-1,2,4-triazol-3-amine
CID 94191683
5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine
CID 5204120

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine (CID 12011791) is 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine is CC(C)CCCCCCc1nc(N)n[nH]1.
What is the InChIKey of 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is UETYABRHVAYQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)7-5-3-4-6-8-10-13-11(12)15-14-10/h9H,3-8H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine?
5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 210.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyloctyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 12011791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).