N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C17H20N6O — CID 97218826

IUPACN-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOc1ccccc1N1CCC[C@H](Nc2nccn3cnnc23)C1
InChIInChI=1S/C17H20N6O/c1-24-15-7-3-2-6-14(15)22-9-4-5-13(11-22)20-16-17-21-19-12-23(17)10-8-18-16/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyLCCDOVHNSMXLTI-ZDUSSCGKSA-N
MW324.39 g/mol
LogP2.21
Rot. Bonds4

About N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 97218826) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID97218826
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOc1ccccc1N1CCC[C@H](Nc2nccn3cnnc23)C1
InChIInChI=1S/C17H20N6O/c1-24-15-7-3-2-6-14(15)22-9-4-5-13(11-22)20-16-17-21-19-12-23(17)10-8-18-16/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyLCCDOVHNSMXLTI-ZDUSSCGKSA-N
XLogP2.21
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

N-[1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 75374730
N-[(3R)-1-(2-methoxyphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 95629465
N-[1-(2-methoxyphenyl)piperidin-3-yl]-6-methylpyridin-2-amine
CID 133483342
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472386
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
(E)-3-(1,3-benzothiazol-2-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]prop-2-enamide
CID 86965444
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylpropanamide
CID 86965751
N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113253017
3-cyclopentyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86965679
N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245596

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 97218826) is N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is COc1ccccc1N1CCC[C@H](Nc2nccn3cnnc23)C1.
What is the InChIKey of N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is LCCDOVHNSMXLTI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O/c1-24-15-7-3-2-6-14(15)22-9-4-5-13(11-22)20-16-17-21-19-12-23(17)10-8-18-16/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 324.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 97218826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).