N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C20H23N5O2 — CID 92626871

IUPACN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cc(C(C)C)c3nncn3n2)C2CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-12(2)16-10-17(24-25-11-21-23-19(16)25)20(26)22-18(13-4-5-13)14-6-8-15(27-3)9-7-14/h6-13,18H,4-5H2,1-3H3,(H,22,26)/t18-/m1/s1
InChIKeyXWMUDVHNPWGAKY-GOSISDBHSA-N
MW365.44 g/mol
LogP3.14
Rot. Bonds6

About N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 92626871) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID92626871
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cc(C(C)C)c3nncn3n2)C2CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-12(2)16-10-17(24-25-11-21-23-19(16)25)20(26)22-18(13-4-5-13)14-6-8-15(27-3)9-7-14/h6-13,18H,4-5H2,1-3H3,(H,22,26)/t18-/m1/s1
InChIKeyXWMUDVHNPWGAKY-GOSISDBHSA-N
XLogP3.14
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide with MolForge

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Related Compounds

1-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95134936
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 51929771
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 112733298
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
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CID 25388515
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
1-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 94028869
1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46976355
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 75363643

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 92626871) is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is COc1ccc([C@H](NC(=O)c2cc(C(C)C)c3nncn3n2)C2CC2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is XWMUDVHNPWGAKY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12(2)16-10-17(24-25-11-21-23-19(16)25)20(26)22-18(13-4-5-13)14-6-8-15(27-3)9-7-14/h6-13,18H,4-5H2,1-3H3,(H,22,26)/t18-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 92626871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).