5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile

C15H17N5 — CID 133490912

IUPAC5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCC(C)Nc1cccc(CNc2cnc(C#N)cn2)c1
InChIInChI=1S/C15H17N5/c1-11(2)20-13-5-3-4-12(6-13)8-18-15-10-17-14(7-16)9-19-15/h3-6,9-11,20H,8H2,1-2H3,(H,18,19)
InChIKeySCPXWWJMMDPTBX-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.78
Rot. Bonds5

About 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile

5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133490912) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
PubChem CID133490912
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCC(C)Nc1cccc(CNc2cnc(C#N)cn2)c1
InChIInChI=1S/C15H17N5/c1-11(2)20-13-5-3-4-12(6-13)8-18-15-10-17-14(7-16)9-19-15/h3-6,9-11,20H,8H2,1-2H3,(H,18,19)
InChIKeySCPXWWJMMDPTBX-UHFFFAOYSA-N
XLogP2.78
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
CID 75510020
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133291347
5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile
CID 133290976
5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile
CID 133484065
5-(1,3-benzodioxol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 63658356
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133484456
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
CID 114614834
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile (CID 133490912) is 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile is CC(C)Nc1cccc(CNc2cnc(C#N)cn2)c1.
What is the InChIKey of 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is SCPXWWJMMDPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11(2)20-13-5-3-4-12(6-13)8-18-15-10-17-14(7-16)9-19-15/h3-6,9-11,20H,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile?
5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133490912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).