3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol

C10H12F2N4O — CID 106167606

IUPAC3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cc2cn[nH]c2cc1NCC(F)(F)CO
InChIInChI=1S/C10H12F2N4O/c11-10(12,5-17)4-14-9-2-8-6(1-7(9)13)3-15-16-8/h1-3,14,17H,4-5,13H2,(H,15,16)
InChIKeyUHJZMJGFJLBTIC-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.18
Rot. Bonds4

About 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol

3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106167606) has the molecular formula C10H12F2N4O and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106167606
Molecular FormulaC10H12F2N4O
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cc2cn[nH]c2cc1NCC(F)(F)CO
InChIInChI=1S/C10H12F2N4O/c11-10(12,5-17)4-14-9-2-8-6(1-7(9)13)3-15-16-8/h1-3,14,17H,4-5,13H2,(H,15,16)
InChIKeyUHJZMJGFJLBTIC-UHFFFAOYSA-N
XLogP1.18
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol (CID 106167606) is 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol is Nc1cc2cn[nH]c2cc1NCC(F)(F)CO.
What is the InChIKey of 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is UHJZMJGFJLBTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O/c11-10(12,5-17)4-14-9-2-8-6(1-7(9)13)3-15-16-8/h1-3,14,17H,4-5,13H2,(H,15,16).
What are the key properties of 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol?
3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 242.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106167606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).