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

C12H22N4 — CID 18811364

IUPAC5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESCCCCC1CCC(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-2-3-4-9-5-7-10(8-6-9)11-14-12(13)16-15-11/h9-10H,2-8H2,1H3,(H3,13,14,15,16)
InChIKeySVODTQLYKIZMKG-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.85
Rot. Bonds4

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

5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine (PubChem CID 18811364) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
PubChem CID18811364
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESCCCCC1CCC(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-2-3-4-9-5-7-10(8-6-9)11-14-12(13)16-15-11/h9-10H,2-8H2,1H3,(H3,13,14,15,16)
InChIKeySVODTQLYKIZMKG-UHFFFAOYSA-N
XLogP2.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
3-Nonyl-1H-1,2,4-triazol-5-amine
CID 566934
5-cyclopentyl-4H-1,2,4-triazol-3-amine
CID 4552098
5-Undecyl-1h-1,2,4-triazol-3-amine
CID 292323
3-(4-aminocyclohexyl)-1H-1,2,4-triazol-5-amine
CID 61319568
5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine
CID 5204120
Sdccgsbi-0659129.P001
CID 53192268
3-Hexyl-1h-1,2,4-triazol-5-amine
CID 4272574
3,5-dicyclohexyl-1H-1,2,4-triazole
CID 61337945
5-Heptyl-1H-1,2,4-triazol-3-amine monohydrochloride
CID 11970966
5-octan-3-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 142797788

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine (CID 18811364) is 5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine is CCCCC1CCC(c2nc(N)n[nH]2)CC1.
What is the InChIKey of 5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is SVODTQLYKIZMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-3-4-9-5-7-10(8-6-9)11-14-12(13)16-15-11/h9-10H,2-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine?
5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 222.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 18811364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).