4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C10H13F3N4 — CID 80509111

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESNCc1ccnnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)6-17(8-1-2-8)9-7(5-14)3-4-15-16-9/h3-4,8H,1-2,5-6,14H2
InChIKeyQOHAMALRLUJVRL-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.47
Rot. Bonds4

About 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 80509111) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID80509111
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESNCc1ccnnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)6-17(8-1-2-8)9-7(5-14)3-4-15-16-9/h3-4,8H,1-2,5-6,14H2
InChIKeyQOHAMALRLUJVRL-UHFFFAOYSA-N
XLogP1.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopropylpyridazin-3-amine
CID 62482225
3-(Piperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 69039149
3-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 70812437
3-(3,4-Dimethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 70812916
(1S,4S)-2-[5-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 89823501
3-(4-Isopropylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 124083985
3-(4-Iodopiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 124085805
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyridazine
CID 126857246
3-(4-Butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 131992329
3-(4-Ethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 133054880
N-Methyl-5-(trifluoromethyl)pyridazin-3-amine
CID 133063415
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]pyridazin-3-amine
CID 134542857

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 80509111) is 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is NCc1ccnnc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is QOHAMALRLUJVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)6-17(8-1-2-8)9-7(5-14)3-4-15-16-9/h3-4,8H,1-2,5-6,14H2.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 246.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 80509111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).