6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine

C8H11F2N3 — CID 176980680

IUPAC6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine
SMILESCC(C)Nc1ccc(C(F)F)nn1
InChIInChI=1S/C8H11F2N3/c1-5(2)11-7-4-3-6(8(9)10)12-13-7/h3-5,8H,1-2H3,(H,11,13)
InChIKeyGBLAECWNVHUMPC-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.23
Rot. Bonds3

About 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine

6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine (PubChem CID 176980680) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine
PubChem CID176980680
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine
SMILESCC(C)Nc1ccc(C(F)F)nn1
InChIInChI=1S/C8H11F2N3/c1-5(2)11-7-4-3-6(8(9)10)12-13-7/h3-5,8H,1-2H3,(H,11,13)
InChIKeyGBLAECWNVHUMPC-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine?
The IUPAC name of 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine (CID 176980680) is 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine?
The canonical SMILES for 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine is CC(C)Nc1ccc(C(F)F)nn1.
What is the InChIKey of 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine?
The InChIKey is GBLAECWNVHUMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-5(2)11-7-4-3-6(8(9)10)12-13-7/h3-5,8H,1-2H3,(H,11,13).
What are the key properties of 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine?
6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine has a molecular weight of 187.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 176980680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).