3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one

C14H24N4O — CID 81480113

IUPAC3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one
SMILESNC1(c2n[nH]c(=O)n2C2CCCCC2)CCCCC1
InChIInChI=1S/C14H24N4O/c15-14(9-5-2-6-10-14)12-16-17-13(19)18(12)11-7-3-1-4-8-11/h11H,1-10,15H2,(H,17,19)
InChIKeyOUCQKSCLZNQLBM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds2

About 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one

3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one (PubChem CID 81480113) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one
PubChem CID81480113
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one
SMILESNC1(c2n[nH]c(=O)n2C2CCCCC2)CCCCC1
InChIInChI=1S/C14H24N4O/c15-14(9-5-2-6-10-14)12-16-17-13(19)18(12)11-7-3-1-4-8-11/h11H,1-10,15H2,(H,17,19)
InChIKeyOUCQKSCLZNQLBM-UHFFFAOYSA-N
XLogP2.19
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-[(1S)-1-cyclohexylethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50953206
3-(1-aminocyclohexyl)-4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one
CID 116013740
4-(cyclohexylmethyl)-3-[(dimethylamino)methyl]-1H-1,2,4-triazol-5-one
CID 50984174
3-(1-aminocyclohexyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 81479712
3-(1-aminocyclohexyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one
CID 81479713
3-(1-aminocyclopentyl)-4-butyl-1H-1,2,4-triazol-5-one
CID 81480104
3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one
CID 81480105
3-(1-aminocyclohexyl)-4-butyl-1H-1,2,4-triazol-5-one
CID 81480300
3-(1-aminocyclohexyl)-4-ethyl-1H-1,2,4-triazol-5-one
CID 81480301
3-(1-aminocyclopentyl)-4-propyl-1H-1,2,4-triazol-5-one
CID 81481059
3-(1-aminocyclopentyl)-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 81481260
3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 81481431

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one (CID 81480113) is 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one is NC1(c2n[nH]c(=O)n2C2CCCCC2)CCCCC1.
What is the InChIKey of 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one?
The InChIKey is OUCQKSCLZNQLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c15-14(9-5-2-6-10-14)12-16-17-13(19)18(12)11-7-3-1-4-8-11/h11H,1-10,15H2,(H,17,19).
What are the key properties of 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one?
3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one has a molecular weight of 264.37 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81480113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).