1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol

C10H13F2N5O — CID 113482636

IUPAC1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C10H13F2N5O/c1-2-8(18)7-5-16(15-14-7)6-9-13-3-4-17(9)10(11)12/h3-5,8,10,18H,2,6H2,1H3
InChIKeyUFBMUFXLJMQRBK-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.36
Rot. Bonds5

About 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol (PubChem CID 113482636) has the molecular formula C10H13F2N5O and a molecular weight of 257.24 g/mol. Its IUPAC name is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol
PubChem CID113482636
Molecular FormulaC10H13F2N5O
Molecular Weight257.24 g/mol
Exact Mass257.11
IUPAC Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C10H13F2N5O/c1-2-8(18)7-5-16(15-14-7)6-9-13-3-4-17(9)10(11)12/h3-5,8,10,18H,2,6H2,1H3
InChIKeyUFBMUFXLJMQRBK-UHFFFAOYSA-N
XLogP1.36
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol (CID 113482636) is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol is CCC(O)c1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol?
The InChIKey is UFBMUFXLJMQRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O/c1-2-8(18)7-5-16(15-14-7)6-9-13-3-4-17(9)10(11)12/h3-5,8,10,18H,2,6H2,1H3.
What are the key properties of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol?
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol has a molecular weight of 257.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113482636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).