4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one

C10H17N3O — CID 126953658

IUPAC4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(C)c(=O)n1C1CCCCC1
InChIInChI=1S/C10H17N3O/c1-8-11-12(2)10(14)13(8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyYTGXCUDKVVFKFT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.40
Rot. Bonds1

About 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one

4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one (PubChem CID 126953658) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one
PubChem CID126953658
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(C)c(=O)n1C1CCCCC1
InChIInChI=1S/C10H17N3O/c1-8-11-12(2)10(14)13(8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyYTGXCUDKVVFKFT-UHFFFAOYSA-N
XLogP1.40
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cyclohexyl-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 172450434
4-cyclohexyl-3-(fluoromethyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953625
4-cyclopentyl-3-(fluoromethyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953627
2-Methyl-4-propan-2-yl-5-propyl-1,2,4-triazol-3-one
CID 22091021
5-Butyl-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 22091022
2-Propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 57927211
2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 57927247
5-Butyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 89041769
CID 89164163
CID 89164163
2-Heptyl-4,5-dimethyl-1,2,4-triazol-3-one
CID 132137406
5-Methyl-2,4-di(propan-2-yl)-1,2,4-triazol-3-one
CID 153166811
5-Ethyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 170600125

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one (CID 126953658) is 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one is Cc1nn(C)c(=O)n1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one?
The InChIKey is YTGXCUDKVVFKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-11-12(2)10(14)13(8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one?
4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,5-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).