N-(2,2-difluorocyclopentyl)pyridazin-3-amine

C9H11F2N3 — CID 130831490

IUPACN-(2,2-difluorocyclopentyl)pyridazin-3-amine
SMILESFC1(F)CCCC1Nc1cccnn1
InChIInChI=1S/C9H11F2N3/c10-9(11)5-1-3-7(9)13-8-4-2-6-12-14-8/h2,4,6-7H,1,3,5H2,(H,13,14)
InChIKeySHTPSEGMGOPQST-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.08
Rot. Bonds2

About N-(2,2-difluorocyclopentyl)pyridazin-3-amine

N-(2,2-difluorocyclopentyl)pyridazin-3-amine (PubChem CID 130831490) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is N-(2,2-difluorocyclopentyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluorocyclopentyl)pyridazin-3-amine
PubChem CID130831490
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC NameN-(2,2-difluorocyclopentyl)pyridazin-3-amine
SMILESFC1(F)CCCC1Nc1cccnn1
InChIInChI=1S/C9H11F2N3/c10-9(11)5-1-3-7(9)13-8-4-2-6-12-14-8/h2,4,6-7H,1,3,5H2,(H,13,14)
InChIKeySHTPSEGMGOPQST-UHFFFAOYSA-N
XLogP2.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopentyl)pyridazin-3-amine?
The IUPAC name of N-(2,2-difluorocyclopentyl)pyridazin-3-amine (CID 130831490) is N-(2,2-difluorocyclopentyl)pyridazin-3-amine.
What is the SMILES notation for N-(2,2-difluorocyclopentyl)pyridazin-3-amine?
The canonical SMILES for N-(2,2-difluorocyclopentyl)pyridazin-3-amine is FC1(F)CCCC1Nc1cccnn1.
What is the InChIKey of N-(2,2-difluorocyclopentyl)pyridazin-3-amine?
The InChIKey is SHTPSEGMGOPQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3/c10-9(11)5-1-3-7(9)13-8-4-2-6-12-14-8/h2,4,6-7H,1,3,5H2,(H,13,14).
What are the key properties of N-(2,2-difluorocyclopentyl)pyridazin-3-amine?
N-(2,2-difluorocyclopentyl)pyridazin-3-amine has a molecular weight of 199.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopentyl)pyridazin-3-amine is sourced from PubChem (CID 130831490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).