2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N4O2 — CID 103221931

IUPAC2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ncc(NCC2CC2)cc1=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-17-10(20)6-19-11(21)3-9(5-18-19)16-4-8-1-2-8/h3,5,8,16H,1-2,4,6-7H2,(H,17,20)
InChIKeyUQKQIIWKHKFPIT-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.74
Rot. Bonds6

About 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103221931) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103221931
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ncc(NCC2CC2)cc1=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-17-10(20)6-19-11(21)3-9(5-18-19)16-4-8-1-2-8/h3,5,8,16H,1-2,4,6-7H2,(H,17,20)
InChIKeyUQKQIIWKHKFPIT-UHFFFAOYSA-N
XLogP0.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 103221931) is 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ncc(NCC2CC2)cc1=O)NCC(F)(F)F.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UQKQIIWKHKFPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)7-17-10(20)6-19-11(21)3-9(5-18-19)16-4-8-1-2-8/h3,5,8,16H,1-2,4,6-7H2,(H,17,20).
What are the key properties of 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 304.27 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103221931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).