1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C15H13F3N4O — CID 178030288

IUPAC1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(-c3ccc(N)nn3)ccc2C(F)(F)F)CC1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)9-2-1-8(11-3-4-12(19)22-21-11)7-10(9)14(5-6-14)13(20)23/h1-4,7H,5-6H2,(H2,19,22)(H2,20,23)
InChIKeyRLPYAXYHQCSFQN-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.26
Rot. Bonds3

About 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 178030288) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID178030288
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc(-c3ccc(N)nn3)ccc2C(F)(F)F)CC1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)9-2-1-8(11-3-4-12(19)22-21-11)7-10(9)14(5-6-14)13(20)23/h1-4,7H,5-6H2,(H2,19,22)(H2,20,23)
InChIKeyRLPYAXYHQCSFQN-UHFFFAOYSA-N
XLogP2.26
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 178030240
6-(4-fluorophenyl)pyridazin-3-amine
CID 11030588
5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one
CID 82487605
6-(3,5-dichlorophenyl)pyridazin-3-amine
CID 114879114
6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine
CID 178065217
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
CID 68758850
3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
CID 107290372
1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide
CID 162773616
methyl 4-(6-amino-5-bromopyridazin-3-yl)benzoate;methyl 4-(6-aminopyridazin-3-yl)benzoate
CID 158639348
6-(5-chloro-3-pyridinyl)pyridazin-3-amine
CID 118165439
3-amino-4-(trifluoromethyl)benzamide
CID 70566293
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine
CID 107290472

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 178030288) is 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is NC(=O)C1(c2cc(-c3ccc(N)nn3)ccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is RLPYAXYHQCSFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)9-2-1-8(11-3-4-12(19)22-21-11)7-10(9)14(5-6-14)13(20)23/h1-4,7H,5-6H2,(H2,19,22)(H2,20,23).
What are the key properties of 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-aminopyridazin-3-yl)-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 178030288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).