1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol

C7H12F2N4O — CID 103739411

IUPAC1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol
SMILESCn1nncc1CNCC(O)C(F)F
InChIInChI=1S/C7H12F2N4O/c1-13-5(3-11-12-13)2-10-4-6(14)7(8)9/h3,6-7,10,14H,2,4H2,1H3
InChIKeyNMTIKHQYFQMIFL-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.47
Rot. Bonds5

About 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol

1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol (PubChem CID 103739411) has the molecular formula C7H12F2N4O and a molecular weight of 206.20 g/mol. Its IUPAC name is 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol
PubChem CID103739411
Molecular FormulaC7H12F2N4O
Molecular Weight206.20 g/mol
Exact Mass206.10
IUPAC Name1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol
SMILESCn1nncc1CNCC(O)C(F)F
InChIInChI=1S/C7H12F2N4O/c1-13-5(3-11-12-13)2-10-4-6(14)7(8)9/h3,6-7,10,14H,2,4H2,1H3
InChIKeyNMTIKHQYFQMIFL-UHFFFAOYSA-N
XLogP-0.47
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol (CID 103739411) is 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol is Cn1nncc1CNCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol?
The InChIKey is NMTIKHQYFQMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O/c1-13-5(3-11-12-13)2-10-4-6(14)7(8)9/h3,6-7,10,14H,2,4H2,1H3.
What are the key properties of 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol?
1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol has a molecular weight of 206.20 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(3-methyltriazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103739411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).