3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol

C13H17ClFN3O — CID 138469330

IUPAC3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol
SMILESCCCCc1nc(Cl)nc(C2=C(F)C(O)CCC2)n1
InChIInChI=1S/C13H17ClFN3O/c1-2-3-7-10-16-12(18-13(14)17-10)8-5-4-6-9(19)11(8)15/h9,19H,2-7H2,1H3
InChIKeySKTGREGVWCESNB-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.09
Rot. Bonds4

About 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol

3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol (PubChem CID 138469330) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol
PubChem CID138469330
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol
SMILESCCCCc1nc(Cl)nc(C2=C(F)C(O)CCC2)n1
InChIInChI=1S/C13H17ClFN3O/c1-2-3-7-10-16-12(18-13(14)17-10)8-5-4-6-9(19)11(8)15/h9,19H,2-7H2,1H3
InChIKeySKTGREGVWCESNB-UHFFFAOYSA-N
XLogP3.09
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-3-[4-(3-methylbutyl)-6-(propylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138468946
3-[4-amino-6-[(3S)-4,4,4-trifluoro-3-methylbutyl]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 138469036
2-fluoro-3-[4-(3-methylbutyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469046
2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469341
2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 106659250
3-[4-[(3,3-difluorocyclobutyl)amino]-6-[(3-fluoro-3-methylcyclobutyl)amino]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 162483946
(1S)-2-fluoro-3-[4-(1,1,1-trifluoropropan-2-ylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohept-2-en-1-ol
CID 162445395
3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 175486048
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79413051
3-[4-(cyclobutylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 162445333
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol?
The IUPAC name of 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol (CID 138469330) is 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol.
What is the SMILES notation for 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol?
The canonical SMILES for 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol is CCCCc1nc(Cl)nc(C2=C(F)C(O)CCC2)n1.
What is the InChIKey of 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol?
The InChIKey is SKTGREGVWCESNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O/c1-2-3-7-10-16-12(18-13(14)17-10)8-5-4-6-9(19)11(8)15/h9,19H,2-7H2,1H3.
What are the key properties of 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol?
3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol has a molecular weight of 285.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol is sourced from PubChem (CID 138469330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).