2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C17H22N6O2 — CID 91844231

IUPAC2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCn1cnnc1CN(C)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C17H22N6O2/c1-13-5-4-6-23-16(24)9-14(19-17(13)23)10-21(2)11-15-20-18-12-22(15)7-8-25-3/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyACAOLBZUZWNMJG-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.87
Rot. Bonds7

About 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 91844231) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID91844231
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCn1cnnc1CN(C)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C17H22N6O2/c1-13-5-4-6-23-16(24)9-14(19-17(13)23)10-21(2)11-15-20-18-12-22(15)7-8-25-3/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyACAOLBZUZWNMJG-UHFFFAOYSA-N
XLogP0.87
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 91844231) is 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is COCCn1cnnc1CN(C)Cc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ACAOLBZUZWNMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-13-5-4-6-23-16(24)9-14(19-17(13)23)10-21(2)11-15-20-18-12-22(15)7-8-25-3/h4-6,9,12H,7-8,10-11H2,1-3H3.
What are the key properties of 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 342.40 g/mol, XLogP of 0.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91844231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).