6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one

C11H18N4O — CID 42335974

IUPAC6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C11H18N4O/c1-7-5-3-4-6-9(7)12-10-8(2)14-15-11(16)13-10/h7,9H,3-6H2,1-2H3,(H2,12,13,15,16)/t7-,9-/m1/s1
InChIKeyRLLGMGSYYCSQDW-VXNVDRBHSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds2

About 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one

6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one (PubChem CID 42335974) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one
PubChem CID42335974
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C11H18N4O/c1-7-5-3-4-6-9(7)12-10-8(2)14-15-11(16)13-10/h7,9H,3-6H2,1-2H3,(H2,12,13,15,16)/t7-,9-/m1/s1
InChIKeyRLLGMGSYYCSQDW-VXNVDRBHSA-N
XLogP1.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one with MolForge

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Related Compounds

5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one
CID 7213916
3-methyl-N-(2-methylcyclohexyl)quinoxalin-2-amine
CID 60730168
5-methyl-7-[(2-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281419
4,6-dimethyl-2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55027428
2-ethyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981209
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981493
5-[[(1R,2S)-2-methylcyclohexyl]amino]-3H-1,3,4-thiadiazole-2-thione
CID 2375960
2,5-dimethyl-4-N-(2-methylcyclopentyl)pyrimidine-4,6-diamine
CID 80829505
6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione
CID 129322903
6-chloro-2-ethyl-5-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80970511
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115891216
3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 102677324

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one?
The IUPAC name of 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one (CID 42335974) is 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one?
The InChIKey is RLLGMGSYYCSQDW-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-5-3-4-6-9(7)12-10-8(2)14-15-11(16)13-10/h7,9H,3-6H2,1-2H3,(H2,12,13,15,16)/t7-,9-/m1/s1.
What are the key properties of 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one?
6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one has a molecular weight of 222.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[(1R,2R)-2-methylcyclohexyl]amino]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 42335974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).