1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile

C10H13N5O — CID 70673108

IUPAC1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile
SMILESCOc1nc(C)nc(N2CCCC2C#N)n1
InChIInChI=1S/C10H13N5O/c1-7-12-9(14-10(13-7)16-2)15-5-3-4-8(15)6-11/h8H,3-5H2,1-2H3
InChIKeyXDEIAVLFQGGEBG-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.68
Rot. Bonds2

About 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile

1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile (PubChem CID 70673108) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile
PubChem CID70673108
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile
SMILESCOc1nc(C)nc(N2CCCC2C#N)n1
InChIInChI=1S/C10H13N5O/c1-7-12-9(14-10(13-7)16-2)15-5-3-4-8(15)6-11/h8H,3-5H2,1-2H3
InChIKeyXDEIAVLFQGGEBG-UHFFFAOYSA-N
XLogP0.68
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile?
The IUPAC name of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile (CID 70673108) is 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile is COc1nc(C)nc(N2CCCC2C#N)n1.
What is the InChIKey of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile?
The InChIKey is XDEIAVLFQGGEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-12-9(14-10(13-7)16-2)15-5-3-4-8(15)6-11/h8H,3-5H2,1-2H3.
What are the key properties of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile?
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 70673108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).