3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H21N5O — CID 136524598

IUPAC3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCOc1ccc(CN(C)c2ccc3nnc(C4CC4)n3n2)cc1
InChIInChI=1S/C18H21N5O/c1-3-24-15-8-4-13(5-9-15)12-22(2)17-11-10-16-19-20-18(14-6-7-14)23(16)21-17/h4-5,8-11,14H,3,6-7,12H2,1-2H3
InChIKeyANLQFAZFQOPCHP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.04
Rot. Bonds6

About 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 136524598) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID136524598
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCOc1ccc(CN(C)c2ccc3nnc(C4CC4)n3n2)cc1
InChIInChI=1S/C18H21N5O/c1-3-24-15-8-4-13(5-9-15)12-22(2)17-11-10-16-19-20-18(14-6-7-14)23(16)21-17/h4-5,8-11,14H,3,6-7,12H2,1-2H3
InChIKeyANLQFAZFQOPCHP-UHFFFAOYSA-N
XLogP3.04
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 136523293
3-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912029
4-(cyclopropylmethyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethyl-1,2,4-triazol-3-amine
CID 138034787
N,N-dimethyl-3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912084
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-ethylamino]-N-ethylacetamide
CID 133382709
3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295075
N,N-dimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912143
N,N-dimethyl-3-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912206
N,N-dimethyl-3-(1-pyridin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126911947
6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911035
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
CID 126921842

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 136524598) is 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCOc1ccc(CN(C)c2ccc3nnc(C4CC4)n3n2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ANLQFAZFQOPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-24-15-8-4-13(5-9-15)12-22(2)17-11-10-16-19-20-18(14-6-7-14)23(16)21-17/h4-5,8-11,14H,3,6-7,12H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 136524598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).