3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile

C15H17N5 — CID 133283214

IUPAC3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile
SMILESCC(CNc1nccnc1C#N)N(C)c1ccccc1
InChIInChI=1S/C15H17N5/c1-12(20(2)13-6-4-3-5-7-13)11-19-15-14(10-16)17-8-9-18-15/h3-9,12H,11H2,1-2H3,(H,18,19)
InChIKeyOTTOVLCCJWKDSN-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.29
Rot. Bonds5

About 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile

3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile (PubChem CID 133283214) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile
PubChem CID133283214
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile
SMILESCC(CNc1nccnc1C#N)N(C)c1ccccc1
InChIInChI=1S/C15H17N5/c1-12(20(2)13-6-4-3-5-7-13)11-19-15-14(10-16)17-8-9-18-15/h3-9,12H,11H2,1-2H3,(H,18,19)
InChIKeyOTTOVLCCJWKDSN-UHFFFAOYSA-N
XLogP2.29
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile (CID 133283214) is 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile is CC(CNc1nccnc1C#N)N(C)c1ccccc1.
What is the InChIKey of 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile?
The InChIKey is OTTOVLCCJWKDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-12(20(2)13-6-4-3-5-7-13)11-19-15-14(10-16)17-8-9-18-15/h3-9,12H,11H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile?
3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(N-methylanilino)propylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133283214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).