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

C15H17N5O — CID 96562884

IUPACN-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCO[C@H](CNc1ccc2nnc(C)n2n1)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-11-17-18-15-9-8-14(19-20(11)15)16-10-13(21-2)12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyGXOJQOIAZYNXIO-CYBMUJFWSA-N
MW283.34 g/mol
LogP2.23
Rot. Bonds5

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

N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 96562884) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID96562884
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCO[C@H](CNc1ccc2nnc(C)n2n1)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-11-17-18-15-9-8-14(19-20(11)15)16-10-13(21-2)12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyGXOJQOIAZYNXIO-CYBMUJFWSA-N
XLogP2.23
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 96562884) is N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CO[C@H](CNc1ccc2nnc(C)n2n1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is GXOJQOIAZYNXIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-17-18-15-9-8-14(19-20(11)15)16-10-13(21-2)12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 283.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 96562884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).