3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H21N7O — CID 133445550

IUPAC3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nn(C)c(OC)c1CNc1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C16H21N7O/c1-4-12-11(16(24-3)22(2)20-12)9-17-13-7-8-14-18-19-15(10-5-6-10)23(14)21-13/h7-8,10H,4-6,9H2,1-3H3,(H,17,21)
InChIKeyYEPRJZPSGDFPNT-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.92
Rot. Bonds6

About 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133445550) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133445550
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nn(C)c(OC)c1CNc1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C16H21N7O/c1-4-12-11(16(24-3)22(2)20-12)9-17-13-7-8-14-18-19-15(10-5-6-10)23(14)21-13/h7-8,10H,4-6,9H2,1-3H3,(H,17,21)
InChIKeyYEPRJZPSGDFPNT-UHFFFAOYSA-N
XLogP1.92
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate
CID 133445681
6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133445721
5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133445612
3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 139008143
6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 133445330
3-cyclopropyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133296676
3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295075
1-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 71977966
3-cyclopropyl-N-[4-(1,2,4-triazol-4-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133325363
3-cyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294997
3-cyclopropyl-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133383342
3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133458949

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133445550) is 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nn(C)c(OC)c1CNc1ccc2nnc(C3CC3)n2n1.
What is the InChIKey of 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is YEPRJZPSGDFPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-4-12-11(16(24-3)22(2)20-12)9-17-13-7-8-14-18-19-15(10-5-6-10)23(14)21-13/h7-8,10H,4-6,9H2,1-3H3,(H,17,21).
What are the key properties of 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 327.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133445550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).