(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine

C15H16ClN5 — CID 99982532

IUPAC(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1nnc2ccc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C15H16ClN5/c1-9(2)14(17)15-19-18-13-8-7-12(20-21(13)15)10-3-5-11(16)6-4-10/h3-9,14H,17H2,1-2H3/t14-/m1/s1
InChIKeyKLIRRSWHSMOOTP-CQSZACIVSA-N
MW301.78 g/mol
LogP3.10
Rot. Bonds3

About (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine

(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine (PubChem CID 99982532) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
PubChem CID99982532
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1nnc2ccc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C15H16ClN5/c1-9(2)14(17)15-19-18-13-8-7-12(20-21(13)15)10-3-5-11(16)6-4-10/h3-9,14H,17H2,1-2H3/t14-/m1/s1
InChIKeyKLIRRSWHSMOOTP-CQSZACIVSA-N
XLogP3.10
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 99982506
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
(1S)-1-[6-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 99982075
(1R)-1-[6-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
CID 99982580
6-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 39732405
N-[(4-chlorophenyl)methyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39337173
1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
CID 76618478
6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 70448780
6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982464

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine (CID 99982532) is (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine is CC(C)[C@@H](N)c1nnc2ccc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine?
The InChIKey is KLIRRSWHSMOOTP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-9(2)14(17)15-19-18-13-8-7-12(20-21(13)15)10-3-5-11(16)6-4-10/h3-9,14H,17H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine?
(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine has a molecular weight of 301.78 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 99982532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).