N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide

C10H10F3N7O2 — CID 71853701

IUPACN-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide
SMILESNC(=O)NC(=O)CCNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C10H10F3N7O2/c11-10(12,13)8-18-17-6-2-1-5(19-20(6)8)15-4-3-7(21)16-9(14)22/h1-2H,3-4H2,(H,15,19)(H3,14,16,21,22)
InChIKeyHAMBHZJQEGTHJU-UHFFFAOYSA-N
MW317.23 g/mol
LogP0.14
Rot. Bonds4

About N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide

N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide (PubChem CID 71853701) has the molecular formula C10H10F3N7O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide
PubChem CID71853701
Molecular FormulaC10H10F3N7O2
Molecular Weight317.23 g/mol
Exact Mass317.08
IUPAC NameN-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide
SMILESNC(=O)NC(=O)CCNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C10H10F3N7O2/c11-10(12,13)8-18-17-6-2-1-5(19-20(6)8)15-4-3-7(21)16-9(14)22/h1-2H,3-4H2,(H,15,19)(H3,14,16,21,22)
InChIKeyHAMBHZJQEGTHJU-UHFFFAOYSA-N
XLogP0.14
TPSA127.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide?
The IUPAC name of N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide (CID 71853701) is N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide.
What is the SMILES notation for N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide?
The canonical SMILES for N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide is NC(=O)NC(=O)CCNc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide?
The InChIKey is HAMBHZJQEGTHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N7O2/c11-10(12,13)8-18-17-6-2-1-5(19-20(6)8)15-4-3-7(21)16-9(14)22/h1-2H,3-4H2,(H,15,19)(H3,14,16,21,22).
What are the key properties of N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide?
N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide has a molecular weight of 317.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide is sourced from PubChem (CID 71853701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).