5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide

C15H14F2N4O — CID 170358947

IUPAC5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide
SMILESCc1nncc(-c2cc(F)c(F)cc2NC2CC2)c1C(N)=O
InChIInChI=1S/C15H14F2N4O/c1-7-14(15(18)22)10(6-19-21-7)9-4-11(16)12(17)5-13(9)20-8-2-3-8/h4-6,8,20H,2-3H2,1H3,(H2,18,22)
InChIKeyCRFMRNRATHVTJO-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.40
Rot. Bonds4

About 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide

5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide (PubChem CID 170358947) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide
PubChem CID170358947
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide
SMILESCc1nncc(-c2cc(F)c(F)cc2NC2CC2)c1C(N)=O
InChIInChI=1S/C15H14F2N4O/c1-7-14(15(18)22)10(6-19-21-7)9-4-11(16)12(17)5-13(9)20-8-2-3-8/h4-6,8,20H,2-3H2,1H3,(H2,18,22)
InChIKeyCRFMRNRATHVTJO-UHFFFAOYSA-N
XLogP2.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide?
The IUPAC name of 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide (CID 170358947) is 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide.
What is the SMILES notation for 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide?
The canonical SMILES for 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide is Cc1nncc(-c2cc(F)c(F)cc2NC2CC2)c1C(N)=O.
What is the InChIKey of 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide?
The InChIKey is CRFMRNRATHVTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c1-7-14(15(18)22)10(6-19-21-7)9-4-11(16)12(17)5-13(9)20-8-2-3-8/h4-6,8,20H,2-3H2,1H3,(H2,18,22).
What are the key properties of 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide?
5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide is sourced from PubChem (CID 170358947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).