4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C12H17F3N4 — CID 55007067

IUPAC4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1nnc(N(CC(F)(F)F)C2CC2)c(CN)c1C
InChIInChI=1S/C12H17F3N4/c1-7-8(2)17-18-11(10(7)5-16)19(9-3-4-9)6-12(13,14)15/h9H,3-6,16H2,1-2H3
InChIKeyWKYOTVUPQZKSSS-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.08
Rot. Bonds4

About 4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 55007067) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID55007067
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1nnc(N(CC(F)(F)F)C2CC2)c(CN)c1C
InChIInChI=1S/C12H17F3N4/c1-7-8(2)17-18-11(10(7)5-16)19(9-3-4-9)6-12(13,14)15/h9H,3-6,16H2,1-2H3
InChIKeyWKYOTVUPQZKSSS-UHFFFAOYSA-N
XLogP2.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 55007067) is 4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is Cc1nnc(N(CC(F)(F)F)C2CC2)c(CN)c1C.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is WKYOTVUPQZKSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-7-8(2)17-18-11(10(7)5-16)19(9-3-4-9)6-12(13,14)15/h9H,3-6,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
4-(aminomethyl)-N-cyclopropyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 2.08, 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-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 55007067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).