3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine

C18H16N6O — CID 141369684

IUPAC3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine
SMILESCOCc1cccc(Cn2nnc3c(-c4ccccc4)ncnc32)n1
InChIInChI=1S/C18H16N6O/c1-25-11-15-9-5-8-14(21-15)10-24-18-17(22-23-24)16(19-12-20-18)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyMEKBSVVSHSQIES-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.48
Rot. Bonds5

About 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine

3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine (PubChem CID 141369684) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine
PubChem CID141369684
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine
SMILESCOCc1cccc(Cn2nnc3c(-c4ccccc4)ncnc32)n1
InChIInChI=1S/C18H16N6O/c1-25-11-15-9-5-8-14(21-15)10-24-18-17(22-23-24)16(19-12-20-18)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyMEKBSVVSHSQIES-UHFFFAOYSA-N
XLogP2.48
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine (CID 141369684) is 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine is COCc1cccc(Cn2nnc3c(-c4ccccc4)ncnc32)n1.
What is the InChIKey of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine?
The InChIKey is MEKBSVVSHSQIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-25-11-15-9-5-8-14(21-15)10-24-18-17(22-23-24)16(19-12-20-18)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3.
What are the key properties of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine?
3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine has a molecular weight of 332.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 141369684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).