6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine

C9H10ClF2N3 — CID 164651964

IUPAC6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine
SMILESFC(F)C1(CNc2cnnc(Cl)c2)CC1
InChIInChI=1S/C9H10ClF2N3/c10-7-3-6(4-14-15-7)13-5-9(1-2-9)8(11)12/h3-4,8H,1-2,5H2,(H,13,15)
InChIKeyHWMRJHIROBTPFV-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.59
Rot. Bonds4

About 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine

6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine (PubChem CID 164651964) has the molecular formula C9H10ClF2N3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine
PubChem CID164651964
Molecular FormulaC9H10ClF2N3
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine
SMILESFC(F)C1(CNc2cnnc(Cl)c2)CC1
InChIInChI=1S/C9H10ClF2N3/c10-7-3-6(4-14-15-7)13-5-9(1-2-9)8(11)12/h3-4,8H,1-2,5H2,(H,13,15)
InChIKeyHWMRJHIROBTPFV-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine?
The IUPAC name of 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine (CID 164651964) is 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine is FC(F)C1(CNc2cnnc(Cl)c2)CC1.
What is the InChIKey of 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine?
The InChIKey is HWMRJHIROBTPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3/c10-7-3-6(4-14-15-7)13-5-9(1-2-9)8(11)12/h3-4,8H,1-2,5H2,(H,13,15).
What are the key properties of 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine?
6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine has a molecular weight of 233.65 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(difluoromethyl)cyclopropyl]methyl]pyridazin-4-amine is sourced from PubChem (CID 164651964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).