2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile

C9H12N6 — CID 11579331

IUPAC2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile
SMILESN#CCc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C9H12N6/c10-4-3-7-12-8(11)14-9(13-7)15-5-1-2-6-15/h1-3,5-6H2,(H2,11,12,13,14)
InChIKeyZQCOHWOOMNVHQW-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.12
Rot. Bonds2

About 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile

2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile (PubChem CID 11579331) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile
PubChem CID11579331
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile
SMILESN#CCc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C9H12N6/c10-4-3-7-12-8(11)14-9(13-7)15-5-1-2-6-15/h1-3,5-6H2,(H2,11,12,13,14)
InChIKeyZQCOHWOOMNVHQW-UHFFFAOYSA-N
XLogP0.12
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile?
The IUPAC name of 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile (CID 11579331) is 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile is N#CCc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile?
The InChIKey is ZQCOHWOOMNVHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c10-4-3-7-12-8(11)14-9(13-7)15-5-1-2-6-15/h1-3,5-6H2,(H2,11,12,13,14).
What are the key properties of 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile?
2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile has a molecular weight of 204.24 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)acetonitrile is sourced from PubChem (CID 11579331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).