6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile

C6H2ClN5 — CID 131092138

IUPAC6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile
SMILESN#Cc1nnc2cnc(Cl)cn12
InChIInChI=1S/C6H2ClN5/c7-4-3-12-5(1-8)10-11-6(12)2-9-4/h2-3H
InChIKeyIUQOPEGLPQTULV-UHFFFAOYSA-N
MW179.57 g/mol
LogP0.65
Rot. Bonds

About 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile

6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile (PubChem CID 131092138) has the molecular formula C6H2ClN5 and a molecular weight of 179.57 g/mol. Its IUPAC name is 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile
PubChem CID131092138
Molecular FormulaC6H2ClN5
Molecular Weight179.57 g/mol
Exact Mass179.00
IUPAC Name6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile
SMILESN#Cc1nnc2cnc(Cl)cn12
InChIInChI=1S/C6H2ClN5/c7-4-3-12-5(1-8)10-11-6(12)2-9-4/h2-3H
InChIKeyIUQOPEGLPQTULV-UHFFFAOYSA-N
XLogP0.65
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.57
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine
CID 133063746
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-N-methylmethanamine
CID 84667940
6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370745
3,6-dichloroimidazo[1,2-a]pyrazine
CID 12841573
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanoic acid
CID 84690695
1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)cyclopropan-1-amine
CID 84780378
2-amino-2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)acetic acid
CID 84690684
6-chloro-3-pyridin-3-ylimidazo[1,2-a]pyrazine
CID 130311776
6-amino-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonitrile
CID 131564254
3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol
CID 84690769
1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carbonitrile
CID 154604138
4-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)benzonitrile
CID 43144435

Frequently Asked Questions

What is the IUPAC name of 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile?
The IUPAC name of 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile (CID 131092138) is 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile?
The canonical SMILES for 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile is N#Cc1nnc2cnc(Cl)cn12.
What is the InChIKey of 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile?
The InChIKey is IUQOPEGLPQTULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClN5/c7-4-3-12-5(1-8)10-11-6(12)2-9-4/h2-3H.
What are the key properties of 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile?
6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile has a molecular weight of 179.57 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 131092138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).