3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol

C8H14F2N4O — CID 106175997

IUPAC3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCCn1ncnc1CNCC(F)(F)CO
InChIInChI=1S/C8H14F2N4O/c1-2-14-7(12-6-13-14)3-11-4-8(9,10)5-15/h6,11,15H,2-5H2,1H3
InChIKeyGHZFTWMHHOWCHU-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.02
Rot. Bonds6

About 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 106175997) has the molecular formula C8H14F2N4O and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID106175997
Molecular FormulaC8H14F2N4O
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCCn1ncnc1CNCC(F)(F)CO
InChIInChI=1S/C8H14F2N4O/c1-2-14-7(12-6-13-14)3-11-4-8(9,10)5-15/h6,11,15H,2-5H2,1H3
InChIKeyGHZFTWMHHOWCHU-UHFFFAOYSA-N
XLogP0.02
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol (CID 106175997) is 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol is CCn1ncnc1CNCC(F)(F)CO.
What is the InChIKey of 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is GHZFTWMHHOWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4O/c1-2-14-7(12-6-13-14)3-11-4-8(9,10)5-15/h6,11,15H,2-5H2,1H3.
What are the key properties of 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 220.22 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106175997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).