N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide

C16H15F3N4O — CID 135186383

IUPACN-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2NC2CC2)cnn1
InChIInChI=1S/C16H15F3N4O/c1-9-6-10(8-20-23-9)15(24)22-13-5-2-11(16(17,18)19)7-14(13)21-12-3-4-12/h2,5-8,12,21H,3-4H2,1H3,(H,22,24)
InChIKeyNQFAPZZJSRMDNI-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide

N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide (PubChem CID 135186383) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide
PubChem CID135186383
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2NC2CC2)cnn1
InChIInChI=1S/C16H15F3N4O/c1-9-6-10(8-20-23-9)15(24)22-13-5-2-11(16(17,18)19)7-14(13)21-12-3-4-12/h2,5-8,12,21H,3-4H2,1H3,(H,22,24)
InChIKeyNQFAPZZJSRMDNI-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide (CID 135186383) is N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2NC2CC2)cnn1.
What is the InChIKey of N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide?
The InChIKey is NQFAPZZJSRMDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-9-6-10(8-20-23-9)15(24)22-13-5-2-11(16(17,18)19)7-14(13)21-12-3-4-12/h2,5-8,12,21H,3-4H2,1H3,(H,22,24).
What are the key properties of N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide?
N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 135186383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).