4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile

C15H13N5 — CID 143460863

IUPAC4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile
SMILESCNc1nccn2c(Cc3ccc(C#N)cc3)cnc12
InChIInChI=1S/C15H13N5/c1-17-14-15-19-10-13(20(15)7-6-18-14)8-11-2-4-12(9-16)5-3-11/h2-7,10H,8H2,1H3,(H,17,18)
InChIKeyZAICOQVTZOSJAG-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.23
Rot. Bonds3

About 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile

4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile (PubChem CID 143460863) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile
PubChem CID143460863
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile
SMILESCNc1nccn2c(Cc3ccc(C#N)cc3)cnc12
InChIInChI=1S/C15H13N5/c1-17-14-15-19-10-13(20(15)7-6-18-14)8-11-2-4-12(9-16)5-3-11/h2-7,10H,8H2,1H3,(H,17,18)
InChIKeyZAICOQVTZOSJAG-UHFFFAOYSA-N
XLogP2.23
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(methylamino)phenyl]methyl]benzonitrile
CID 147207222
4-[[(3-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]benzonitrile
CID 171691050
benzene;4-[2-[3-[[2-(methylamino)-3-pyridinyl]amino]propylamino]ethyl]benzonitrile
CID 176990253
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
CID 104730788
4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile
CID 141279339
4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 66612711
4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561420
3-(3-fluoro-4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 58777802
4-[(5-methyl-2-pyridinyl)methyl]benzonitrile
CID 166687753
4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile
CID 157179855
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile?
The IUPAC name of 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile (CID 143460863) is 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile is CNc1nccn2c(Cc3ccc(C#N)cc3)cnc12.
What is the InChIKey of 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile?
The InChIKey is ZAICOQVTZOSJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-17-14-15-19-10-13(20(15)7-6-18-14)8-11-2-4-12(9-16)5-3-11/h2-7,10H,8H2,1H3,(H,17,18).
What are the key properties of 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile?
4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile is sourced from PubChem (CID 143460863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).