[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol

C9H9F6N3O — CID 103311290

IUPAC[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(C(C(F)(F)F)C(F)(F)F)n1C1CC1
InChIInChI=1S/C9H9F6N3O/c10-8(11,12)6(9(13,14)15)7-17-16-5(3-19)18(7)4-1-2-4/h4,6,19H,1-3H2
InChIKeyXPSCWUBRGRTHHK-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.31
Rot. Bonds3

About [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol

[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103311290) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID103311290
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC Name[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(C(C(F)(F)F)C(F)(F)F)n1C1CC1
InChIInChI=1S/C9H9F6N3O/c10-8(11,12)6(9(13,14)15)7-17-16-5(3-19)18(7)4-1-2-4/h4,6,19H,1-3H2
InChIKeyXPSCWUBRGRTHHK-UHFFFAOYSA-N
XLogP2.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 129190894
[4-Cyclopropyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934550
[4-Cyclopropyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81934572
[4-Propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213632
[4-Propan-2-yl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
CID 103213633
[4-Cyclopropyl-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213634
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103213637
[4-Ethyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213638
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103213645
[4-(2-Methylpropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213646

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 103311290) is [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol is OCc1nnc(C(C(F)(F)F)C(F)(F)F)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is XPSCWUBRGRTHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c10-8(11,12)6(9(13,14)15)7-17-16-5(3-19)18(7)4-1-2-4/h4,6,19H,1-3H2.
What are the key properties of [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 289.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103311290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).