7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline

C17H19N5O2 — CID 133273595

IUPAC7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOCc1cc(N2CCc3ccc(OC)cc3C2)n2ncnc2n1
InChIInChI=1S/C17H19N5O2/c1-23-10-14-8-16(22-17(20-14)18-11-19-22)21-6-5-12-3-4-15(24-2)7-13(12)9-21/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyPLCKVLJWJUIUJV-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.84
Rot. Bonds4

About 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline

7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 133273595) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID133273595
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOCc1cc(N2CCc3ccc(OC)cc3C2)n2ncnc2n1
InChIInChI=1S/C17H19N5O2/c1-23-10-14-8-16(22-17(20-14)18-11-19-22)21-6-5-12-3-4-15(24-2)7-13(12)9-21/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyPLCKVLJWJUIUJV-UHFFFAOYSA-N
XLogP1.84
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133298817
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133307441
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126900419
3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol
CID 133289444
5-(methoxymethyl)-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874378
5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126934173
5-(methoxymethyl)-7-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126911773
7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133311255
7-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126947093
2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
CID 78845347

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline (CID 133273595) is 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline is COCc1cc(N2CCc3ccc(OC)cc3C2)n2ncnc2n1.
What is the InChIKey of 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is PLCKVLJWJUIUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-10-14-8-16(22-17(20-14)18-11-19-22)21-6-5-12-3-4-15(24-2)7-13(12)9-21/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline?
7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 325.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133273595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).