1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile

C13H13N7 — CID 103057618

IUPAC1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile
SMILESCCCNc1cnc(Cn2cnc(C#N)c2C#N)cn1
InChIInChI=1S/C13H13N7/c1-2-3-16-13-7-17-10(6-18-13)8-20-9-19-11(4-14)12(20)5-15/h6-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKeyALYGDAGZQUXUIW-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.29
Rot. Bonds5

About 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile

1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile (PubChem CID 103057618) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile
PubChem CID103057618
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile
SMILESCCCNc1cnc(Cn2cnc(C#N)c2C#N)cn1
InChIInChI=1S/C13H13N7/c1-2-3-16-13-7-17-10(6-18-13)8-20-9-19-11(4-14)12(20)5-15/h6-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKeyALYGDAGZQUXUIW-UHFFFAOYSA-N
XLogP1.29
TPSA103.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine
CID 103056605
5-[(3,5-diethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057590
N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103056905
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057201
1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595443
1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595584
1-[2-hydroxy-3-(propylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595078
6-[(4,5-dicyanoimidazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 112594979
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
1-nonylimidazole-4,5-dicarbonitrile
CID 112595489
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595742
3-[[5-(propylamino)pyrazin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103057419

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile (CID 103057618) is 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile is CCCNc1cnc(Cn2cnc(C#N)c2C#N)cn1.
What is the InChIKey of 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is ALYGDAGZQUXUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-2-3-16-13-7-17-10(6-18-13)8-20-9-19-11(4-14)12(20)5-15/h6-7,9H,2-3,8H2,1H3,(H,16,18).
What are the key properties of 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile?
1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 267.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(propylamino)pyrazin-2-yl]methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 103057618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).