2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one

C11H20N4O — CID 156847460

IUPAC2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one
SMILESCNc1nn(CC2CCCCC2)c(=O)n1C
InChIInChI=1S/C11H20N4O/c1-12-10-13-15(11(16)14(10)2)8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyCHXJZSKQJLUKEJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.20
Rot. Bonds3

About 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one

2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one (PubChem CID 156847460) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one
PubChem CID156847460
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one
SMILESCNc1nn(CC2CCCCC2)c(=O)n1C
InChIInChI=1S/C11H20N4O/c1-12-10-13-15(11(16)14(10)2)8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyCHXJZSKQJLUKEJ-UHFFFAOYSA-N
XLogP1.20
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Cyclohexylmethyl)-2-methyl-1,2,4-triazol-3-one
CID 127797786
5-Bromo-2-(cyclohexylmethyl)-4-methyl-1,2,4-triazol-3-one
CID 156847353
4-Methyl-2-(2-piperidin-3-ylethyl)-1,2,4-triazol-3-one
CID 81948116
4-Methyl-2-[2-[(3-methylcyclohexyl)amino]ethyl]-1,2,4-triazol-3-one
CID 81948578
4-Methyl-2-[2-[(2-methylcyclohexyl)amino]ethyl]-1,2,4-triazol-3-one
CID 81948794
4-Methyl-2-[2-[(4-methylcyclohexyl)amino]ethyl]-1,2,4-triazol-3-one
CID 81948798
2-[2-(Cyclohexylmethylamino)ethyl]-4-methyl-1,2,4-triazol-3-one
CID 81949186
2-(Cyclohexylmethyl)-4-methyl-1,2,4-triazol-3-one
CID 104046739
2-[2-Cyclohexyl-2-(propylamino)ethyl]-4-methyl-1,2,4-triazol-3-one
CID 104748104
2-[2-Cyclohexyl-2-(methylamino)ethyl]-4-methyl-1,2,4-triazol-3-one
CID 104748111
2-(2-Amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one
CID 104748113
2-[2-Cyclohexyl-2-(ethylamino)ethyl]-4-methyl-1,2,4-triazol-3-one
CID 113448512

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one?
The IUPAC name of 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one (CID 156847460) is 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one?
The canonical SMILES for 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one is CNc1nn(CC2CCCCC2)c(=O)n1C.
What is the InChIKey of 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one?
The InChIKey is CHXJZSKQJLUKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-12-10-13-15(11(16)14(10)2)8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one?
2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one has a molecular weight of 224.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-methyl-5-(methylamino)-1,2,4-triazol-3-one is sourced from PubChem (CID 156847460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).