[5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol

C12H19F2N3O — CID 114226804

IUPAC[5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1C1CCCC(F)(F)C1
InChIInChI=1S/C12H19F2N3O/c1-2-6-17-10(8-18)15-16-11(17)9-4-3-5-12(13,14)7-9/h9,18H,2-8H2,1H3
InChIKeyUCTQTAVHNGJLFW-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.47
Rot. Bonds4

About [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol

[5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 114226804) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID114226804
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name[5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1C1CCCC(F)(F)C1
InChIInChI=1S/C12H19F2N3O/c1-2-6-17-10(8-18)15-16-11(17)9-4-3-5-12(13,14)7-9/h9,18H,2-8H2,1H3
InChIKeyUCTQTAVHNGJLFW-UHFFFAOYSA-N
XLogP2.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 100669946
[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 90300120
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[4-Tert-butyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81934215
[5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 81934435
[4-Propan-2-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934463
[4-Propan-2-yl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934490
[5-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 81934511
[4-Cyclopropyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934529
[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-Ethyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934653

Frequently Asked Questions

What is the IUPAC name of [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol (CID 114226804) is [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1C1CCCC(F)(F)C1.
What is the InChIKey of [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is UCTQTAVHNGJLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-2-6-17-10(8-18)15-16-11(17)9-4-3-5-12(13,14)7-9/h9,18H,2-8H2,1H3.
What are the key properties of [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 259.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 114226804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).