4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile

C8H7ClN4 — CID 170799459

IUPAC4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile
SMILESN#CCC=Cc1cnc(N)c(Cl)n1
InChIInChI=1S/C8H7ClN4/c9-7-8(11)12-5-6(13-7)3-1-2-4-10/h1,3,5H,2H2,(H2,11,12)
InChIKeyBAQCPBPEDBNEJM-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.64
Rot. Bonds2

About 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile

4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile (PubChem CID 170799459) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile.

Molecular Properties

Compound Name4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile
PubChem CID170799459
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile
SMILESN#CCC=Cc1cnc(N)c(Cl)n1
InChIInChI=1S/C8H7ClN4/c9-7-8(11)12-5-6(13-7)3-1-2-4-10/h1,3,5H,2H2,(H2,11,12)
InChIKeyBAQCPBPEDBNEJM-UHFFFAOYSA-N
XLogP1.64
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-amino-2-chloro-3-pyridinyl)but-3-enenitrile
CID 170799310
4-(5-hydroxy-2-pyridinyl)but-3-enenitrile
CID 170799167
3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol
CID 169452977
4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
4-(5-formyl-2-pyridinyl)but-3-enenitrile
CID 170799439
4-(2,6-dichloro-3-pyridinyl)but-3-enenitrile
CID 170799411
6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
CID 170800033
4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile
CID 170800313
4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile
CID 170799440
4-(2-amino-5-nitro-3-pyridinyl)but-3-enenitrile
CID 170800160
4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile
CID 170799835
4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile
CID 170799339

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile?
The IUPAC name of 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile (CID 170799459) is 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile.
What is the SMILES notation for 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile?
The canonical SMILES for 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile is N#CCC=Cc1cnc(N)c(Cl)n1.
What is the InChIKey of 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile?
The InChIKey is BAQCPBPEDBNEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-7-8(11)12-5-6(13-7)3-1-2-4-10/h1,3,5H,2H2,(H2,11,12).
What are the key properties of 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile?
4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile has a molecular weight of 194.62 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile is sourced from PubChem (CID 170799459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).