3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H17N5 — CID 39335688

IUPAC3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(N[C@@H](C)c3ccccc3)nn12
InChIInChI=1S/C15H17N5/c1-3-14-17-18-15-10-9-13(19-20(14)15)16-11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyXQBMATHJPNZOPY-NSHDSACASA-N
MW267.34 g/mol
LogP2.86
Rot. Bonds4

About 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 39335688) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID39335688
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(N[C@@H](C)c3ccccc3)nn12
InChIInChI=1S/C15H17N5/c1-3-14-17-18-15-10-9-13(19-20(14)15)16-11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyXQBMATHJPNZOPY-NSHDSACASA-N
XLogP2.86
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

4-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-phenylbutan-2-ol
CID 133495766
3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
CID 133490705
3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 166476295
3-phenyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95767773
3-(difluoromethyl)-N-(2,2-dimethyl-1-phenylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133429770
3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905756
1-phenyl-3-[6-(1-phenylethylamino)imidazo[1,2-b]pyridazin-3-yl]urea
CID 67306410
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133424819
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97059499
N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide
CID 99792576
N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 71685166
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
CID 113041159

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 39335688) is 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nnc2ccc(N[C@@H](C)c3ccccc3)nn12.
What is the InChIKey of 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is XQBMATHJPNZOPY-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5/c1-3-14-17-18-15-10-9-13(19-20(14)15)16-11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,16,19)/t11-/m0/s1.
What are the key properties of 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 267.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 39335688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).