2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

C6H3ClN6 — CID 53487763

IUPAC2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESN#Cc1cnn2c(Cl)nc(N)nc12
InChIInChI=1S/C6H3ClN6/c7-5-12-6(9)11-4-3(1-8)2-10-13(4)5/h2H,(H2,9,11)
InChIKeyWPKYUQDDZHESEO-UHFFFAOYSA-N
MW194.59 g/mol
LogP0.23
Rot. Bonds

About 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (PubChem CID 53487763) has the molecular formula C6H3ClN6 and a molecular weight of 194.59 g/mol. Its IUPAC name is 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.

Molecular Properties

Compound Name2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
PubChem CID53487763
Molecular FormulaC6H3ClN6
Molecular Weight194.59 g/mol
Exact Mass194.01
IUPAC Name2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESN#Cc1cnn2c(Cl)nc(N)nc12
InChIInChI=1S/C6H3ClN6/c7-5-12-6(9)11-4-3(1-8)2-10-13(4)5/h2H,(H2,9,11)
InChIKeyWPKYUQDDZHESEO-UHFFFAOYSA-N
XLogP0.23
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.59
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The IUPAC name of 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (CID 53487763) is 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.
What is the SMILES notation for 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The canonical SMILES for 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is N#Cc1cnn2c(Cl)nc(N)nc12.
What is the InChIKey of 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The InChIKey is WPKYUQDDZHESEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN6/c7-5-12-6(9)11-4-3(1-8)2-10-13(4)5/h2H,(H2,9,11).
What are the key properties of 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile has a molecular weight of 194.59 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is sourced from PubChem (CID 53487763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).