4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile

C6H4N6 — CID 4625744

IUPAC4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESN#Cc1nnc2ccnn2c1N
InChIInChI=1S/C6H4N6/c7-3-4-6(8)12-5(11-10-4)1-2-9-12/h1-2H,8H2
InChIKeyIBDFEAAYRWQLBK-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.42
Rot. Bonds

About 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile

4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile (PubChem CID 4625744) has the molecular formula C6H4N6 and a molecular weight of 160.14 g/mol. Its IUPAC name is 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile.

Molecular Properties

Compound Name4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
PubChem CID4625744
Molecular FormulaC6H4N6
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESN#Cc1nnc2ccnn2c1N
InChIInChI=1S/C6H4N6/c7-3-4-6(8)12-5(11-10-4)1-2-9-12/h1-2H,8H2
InChIKeyIBDFEAAYRWQLBK-UHFFFAOYSA-N
XLogP-0.42
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The IUPAC name of 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile (CID 4625744) is 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile.
What is the SMILES notation for 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The canonical SMILES for 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile is N#Cc1nnc2ccnn2c1N.
What is the InChIKey of 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The InChIKey is IBDFEAAYRWQLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6/c7-3-4-6(8)12-5(11-10-4)1-2-9-12/h1-2H,8H2.
What are the key properties of 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile has a molecular weight of 160.14 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile is sourced from PubChem (CID 4625744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).