N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine

C8H10F3N3 — CID 167420830

IUPACN-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)Nc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C8H10F3N3/c1-5(2)13-7-3-6(4-12-14-7)8(9,10)11/h3-5H,1-2H3,(H,13,14)
InChIKeyIWNBDWDRIDOTFL-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.32
Rot. Bonds2

About N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine

N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine (PubChem CID 167420830) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine
PubChem CID167420830
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)Nc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C8H10F3N3/c1-5(2)13-7-3-6(4-12-14-7)8(9,10)11/h3-5H,1-2H3,(H,13,14)
InChIKeyIWNBDWDRIDOTFL-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine (CID 167420830) is N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine is CC(C)Nc1cc(C(F)(F)F)cnn1.
What is the InChIKey of N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is IWNBDWDRIDOTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-5(2)13-7-3-6(4-12-14-7)8(9,10)11/h3-5H,1-2H3,(H,13,14).
What are the key properties of N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine?
N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 205.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 167420830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).