2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol

C18H24N4O2 — CID 170258672

IUPAC2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nnc(NC3CCCCC3O)nc2C)c(O)c1
InChIInChI=1S/C18H24N4O2/c1-10-8-11(2)16(15(24)9-10)17-12(3)19-18(22-21-17)20-13-6-4-5-7-14(13)23/h8-9,13-14,23-24H,4-7H2,1-3H3,(H,19,20,22)
InChIKeyFVPUIFFFEZHXDD-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.88
Rot. Bonds3

About 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol

2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol (PubChem CID 170258672) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol
PubChem CID170258672
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nnc(NC3CCCCC3O)nc2C)c(O)c1
InChIInChI=1S/C18H24N4O2/c1-10-8-11(2)16(15(24)9-10)17-12(3)19-18(22-21-17)20-13-6-4-5-7-14(13)23/h8-9,13-14,23-24H,4-7H2,1-3H3,(H,19,20,22)
InChIKeyFVPUIFFFEZHXDD-UHFFFAOYSA-N
XLogP2.88
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol with MolForge

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Related Compounds

2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride
CID 166099090
2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol
CID 170258878
trans-(1R,2R)-2-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]amino]cycloheptan-1-ol
CID 171763651
(3S,4R)-4-[[6-(2-hydroxy-4-methylphenyl)-5-methyl-1,2,4-triazin-3-yl]amino]oxan-3-ol
CID 171763563
2-[3-[[(1R,3S)-3-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methylphenol
CID 171763636
(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol
CID 143208834
3-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]-5-methylphenol
CID 177071061
2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-propan-2-yl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763656
2-[3-[[(1R,2R)-2-aminocyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethoxy)phenol
CID 171763529
2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
CID 123931498
2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol
CID 170259056
trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol
CID 130703423

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol (CID 170258672) is 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol is Cc1cc(C)c(-c2nnc(NC3CCCCC3O)nc2C)c(O)c1.
What is the InChIKey of 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol?
The InChIKey is FVPUIFFFEZHXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-10-8-11(2)16(15(24)9-10)17-12(3)19-18(22-21-17)20-13-6-4-5-7-14(13)23/h8-9,13-14,23-24H,4-7H2,1-3H3,(H,19,20,22).
What are the key properties of 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol?
2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol has a molecular weight of 328.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-3,5-dimethylphenol is sourced from PubChem (CID 170258672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).