N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide

C12H16N4O2 — CID 177347902

IUPACN-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide
SMILESCCC(=O)c1nnc(NC(=O)C2CC2)cc1NC
InChIInChI=1S/C12H16N4O2/c1-3-9(17)11-8(13-2)6-10(15-16-11)14-12(18)7-4-5-7/h6-7H,3-5H2,1-2H3,(H2,13,14,15,18)
InChIKeyLHFIJCPZZWBGKO-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.46
Rot. Bonds5

About N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide

N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 177347902) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide
PubChem CID177347902
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide
SMILESCCC(=O)c1nnc(NC(=O)C2CC2)cc1NC
InChIInChI=1S/C12H16N4O2/c1-3-9(17)11-8(13-2)6-10(15-16-11)14-12(18)7-4-5-7/h6-7H,3-5H2,1-2H3,(H2,13,14,15,18)
InChIKeyLHFIJCPZZWBGKO-UHFFFAOYSA-N
XLogP1.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide (CID 177347902) is N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide is CCC(=O)c1nnc(NC(=O)C2CC2)cc1NC.
What is the InChIKey of N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is LHFIJCPZZWBGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-9(17)11-8(13-2)6-10(15-16-11)14-12(18)7-4-5-7/h6-7H,3-5H2,1-2H3,(H2,13,14,15,18).
What are the key properties of N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide?
N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177347902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).