6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile

C20H20N8O — CID 11280682

IUPAC6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2nc(COC)nc12
InChIInChI=1S/C20H20N8O/c1-3-5-15-17(23-13-28-19(15)25-18(26-28)12-29-2)11-27-9-8-22-20(27)16-7-4-6-14(10-21)24-16/h4,6-9,13H,3,5,11-12H2,1-2H3
InChIKeyMYVNHGGGZLUKTQ-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.40
Rot. Bonds7

About 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile

6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile (PubChem CID 11280682) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile
PubChem CID11280682
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2nc(COC)nc12
InChIInChI=1S/C20H20N8O/c1-3-5-15-17(23-13-28-19(15)25-18(26-28)12-29-2)11-27-9-8-22-20(27)16-7-4-6-14(10-21)24-16/h4,6-9,13H,3,5,11-12H2,1-2H3
InChIKeyMYVNHGGGZLUKTQ-UHFFFAOYSA-N
XLogP2.40
TPSA106.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile (CID 11280682) is 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile is CCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2nc(COC)nc12.
What is the InChIKey of 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The InChIKey is MYVNHGGGZLUKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-3-5-15-17(23-13-28-19(15)25-18(26-28)12-29-2)11-27-9-8-22-20(27)16-7-4-6-14(10-21)24-16/h4,6-9,13H,3,5,11-12H2,1-2H3.
What are the key properties of 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile?
6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile has a molecular weight of 388.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[2-(methoxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 11280682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).