8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

C16H20ClN5O2 — CID 71468922

IUPAC8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCOc1cc(CCCNc2cc(C)cn3c(=O)[nH]nc23)ccn1.Cl
InChIInChI=1S/C16H19N5O2.ClH/c1-11-8-13(15-19-20-16(22)21(15)10-11)17-6-3-4-12-5-7-18-14(9-12)23-2;/h5,7-10,17H,3-4,6H2,1-2H3,(H,20,22);1H
InChIKeySOXYQKHKEJSKGT-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.20
Rot. Bonds6

About 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 71468922) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID71468922
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCOc1cc(CCCNc2cc(C)cn3c(=O)[nH]nc23)ccn1.Cl
InChIInChI=1S/C16H19N5O2.ClH/c1-11-8-13(15-19-20-16(22)21(15)10-11)17-6-3-4-12-5-7-18-14(9-12)23-2;/h5,7-10,17H,3-4,6H2,1-2H3,(H,20,22);1H
InChIKeySOXYQKHKEJSKGT-UHFFFAOYSA-N
XLogP2.20
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,4-Triazin-3(2H)-one, 6-amino-5-((4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)amino)-, (Z)-
CID 13672525
1,2,4-Triazin-3(2H)-one, 6-amino-2-methyl-5-((4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)amino)-, (Z)-
CID 24847158
1-[1-(Cyclopentylmethyl)piperidin-4-yl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51097892
3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 71968648
3-(2-Methoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137270975
3-(2-Ethoxy-3-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 166627366
3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925399
1-(4-methoxyphenethyl)-3-(2-(4-methyl-5-oxo-3-(pyridin-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)urea
CID 45546227
7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134792028
2-(4-methoxyphenyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299349
N-Ethyl-4-[(6-methoxypyridin-3-YL)methyl]piperazine-1-carboxamide
CID 53185142
N-Cyclopentyl-4-[(6-methoxypyridin-3-YL)methyl]piperazine-1-carboxamide
CID 53185145

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The IUPAC name of 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 71468922) is 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is COc1cc(CCCNc2cc(C)cn3c(=O)[nH]nc23)ccn1.Cl.
What is the InChIKey of 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is SOXYQKHKEJSKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2.ClH/c1-11-8-13(15-19-20-16(22)21(15)10-11)17-6-3-4-12-5-7-18-14(9-12)23-2;/h5,7-10,17H,3-4,6H2,1-2H3,(H,20,22);1H.
What are the key properties of 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-methoxy-4-pyridinyl)propylamino]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 71468922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).