2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile

C10H13N5O2 — CID 4020908

IUPAC2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESCOc1nc(OCC#N)nc(N2CCCC2)n1
InChIInChI=1S/C10H13N5O2/c1-16-9-12-8(15-5-2-3-6-15)13-10(14-9)17-7-4-11/h2-3,5-7H2,1H3
InChIKeyNENQWQVJJPYYHF-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.38
Rot. Bonds4

About 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile

2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (PubChem CID 4020908) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
PubChem CID4020908
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESCOc1nc(OCC#N)nc(N2CCCC2)n1
InChIInChI=1S/C10H13N5O2/c1-16-9-12-8(15-5-2-3-6-15)13-10(14-9)17-7-4-11/h2-3,5-7H2,1H3
InChIKeyNENQWQVJJPYYHF-UHFFFAOYSA-N
XLogP0.38
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile 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 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The IUPAC name of 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (CID 4020908) is 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is COc1nc(OCC#N)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The InChIKey is NENQWQVJJPYYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-16-9-12-8(15-5-2-3-6-15)13-10(14-9)17-7-4-11/h2-3,5-7H2,1H3.
What are the key properties of 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile has a molecular weight of 235.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is sourced from PubChem (CID 4020908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).