[5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol

C8H11F2N3O — CID 130979287

IUPAC[5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CC(F)(F)C1
InChIInChI=1S/C8H11F2N3O/c1-13-6(4-14)11-12-7(13)5-2-8(9,10)3-5/h5,14H,2-4H2,1H3
InChIKeyJPOVZUMRDRPMSR-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.82
Rot. Bonds2

About [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 130979287) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID130979287
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name[5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CC(F)(F)C1
InChIInChI=1S/C8H11F2N3O/c1-13-6(4-14)11-12-7(13)5-2-8(9,10)3-5/h5,14H,2-4H2,1H3
InChIKeyJPOVZUMRDRPMSR-UHFFFAOYSA-N
XLogP0.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
2-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
CID 86797421
[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 90300120
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 129190894
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 81934435
[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-Ethyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934653
[4-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934695
[5-(4,4-Difluorocyclohexyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 81934737
[4-Propyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934783

Frequently Asked Questions

What is the IUPAC name of [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 130979287) is [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1C1CC(F)(F)C1.
What is the InChIKey of [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is JPOVZUMRDRPMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-13-6(4-14)11-12-7(13)5-2-8(9,10)3-5/h5,14H,2-4H2,1H3.
What are the key properties of [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 203.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 130979287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).