3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

C18H21N7 — CID 126931931

IUPAC3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(N2CC3CN(Cc4nnc5ccccn45)CC3C2)ncn1
InChIInChI=1S/C18H21N7/c1-13-6-17(20-12-19-13)24-9-14-7-23(8-15(14)10-24)11-18-22-21-16-4-2-3-5-25(16)18/h2-6,12,14-15H,7-11H2,1H3
InChIKeyCXVPXDVUBAJTJI-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.40
Rot. Bonds3

About 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 126931931) has the molecular formula C18H21N7 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID126931931
Molecular FormulaC18H21N7
Molecular Weight335.41 g/mol
Exact Mass335.19
IUPAC Name3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(N2CC3CN(Cc4nnc5ccccn45)CC3C2)ncn1
InChIInChI=1S/C18H21N7/c1-13-6-17(20-12-19-13)24-9-14-7-23(8-15(14)10-24)11-18-22-21-16-4-2-3-5-25(16)18/h2-6,12,14-15H,7-11H2,1H3
InChIKeyCXVPXDVUBAJTJI-UHFFFAOYSA-N
XLogP1.40
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 126931931) is 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1cc(N2CC3CN(Cc4nnc5ccccn45)CC3C2)ncn1.
What is the InChIKey of 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CXVPXDVUBAJTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-13-6-17(20-12-19-13)24-9-14-7-23(8-15(14)10-24)11-18-22-21-16-4-2-3-5-25(16)18/h2-6,12,14-15H,7-11H2,1H3.
What are the key properties of 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 335.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 126931931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).