(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine

C15H17N5 — CID 99982506

IUPAC(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C15H17N5/c1-10(2)14(16)15-18-17-13-9-8-12(19-20(13)15)11-6-4-3-5-7-11/h3-10,14H,16H2,1-2H3/t14-/m0/s1
InChIKeyHTJBMJZCQHHDLN-AWEZNQCLSA-N
MW267.34 g/mol
LogP2.45
Rot. Bonds3

About (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine

(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine (PubChem CID 99982506) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
PubChem CID99982506
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C15H17N5/c1-10(2)14(16)15-18-17-13-9-8-12(19-20(13)15)11-6-4-3-5-7-11/h3-10,14H,16H2,1-2H3/t14-/m0/s1
InChIKeyHTJBMJZCQHHDLN-AWEZNQCLSA-N
XLogP2.45
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
CID 99982532
2-methyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 62042380
(1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 94781728
1-[6-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 102567904
1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 82167159
(1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
CID 99982580
1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
CID 76618478
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62721278
3-methyl-6-phenylimidazo[1,2-b]pyridazine
CID 13112863
7-methyl-4-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]-1,4-dihydroquinazoline
CID 143611235
2,2-dimethyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 62041295
N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]phenyl]acetamide
CID 59338939

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine (CID 99982506) is (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine is CC(C)[C@H](N)c1nnc2ccc(-c3ccccc3)nn12.
What is the InChIKey of (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
The InChIKey is HTJBMJZCQHHDLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17N5/c1-10(2)14(16)15-18-17-13-9-8-12(19-20(13)15)11-6-4-3-5-7-11/h3-10,14H,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine?
(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine is sourced from PubChem (CID 99982506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).