4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile

C20H18N6 — CID 714958

IUPAC4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H18N6/c21-15-18-22-19(25-13-7-8-14-25)24-20(23-18)26(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2
InChIKeyRCFRVQFKBHAWED-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.81
Rot. Bonds4

About 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile

4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 714958) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
PubChem CID714958
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H18N6/c21-15-18-22-19(25-13-7-8-14-25)24-20(23-18)26(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2
InChIKeyRCFRVQFKBHAWED-UHFFFAOYSA-N
XLogP3.81
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile (CID 714958) is 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCCC2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is RCFRVQFKBHAWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c21-15-18-22-19(25-13-7-8-14-25)24-20(23-18)26(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2.
What are the key properties of 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 342.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-phenylanilino)-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 714958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).