7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C8H9N7 — CID 66490217

IUPAC7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCNc1nc2ncc(C#N)c(N)n2n1
InChIInChI=1S/C8H9N7/c1-2-11-7-13-8-12-4-5(3-9)6(10)15(8)14-7/h4H,2,10H2,1H3,(H,11,14)
InChIKeyGENBMEOXNOFJST-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.01
Rot. Bonds2

About 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 66490217) has the molecular formula C8H9N7 and a molecular weight of 203.21 g/mol. Its IUPAC name is 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID66490217
Molecular FormulaC8H9N7
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCNc1nc2ncc(C#N)c(N)n2n1
InChIInChI=1S/C8H9N7/c1-2-11-7-13-8-12-4-5(3-9)6(10)15(8)14-7/h4H,2,10H2,1H3,(H,11,14)
InChIKeyGENBMEOXNOFJST-UHFFFAOYSA-N
XLogP0.01
TPSA104.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82411692
ethane;2-(ethylamino)pyrimidine-5-carbonitrile
CID 142425715
7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2807616
2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile
CID 22390612
4-amino-2-(prop-2-ynylamino)pyrimidine-5-carbonitrile
CID 155564399
2-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82397314
4-amino-2-(diethylamino)pyrimidine-5-carbonitrile
CID 2816412
5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795655
4-(ethylamino)benzo[h]quinoline-3-carbonitrile
CID 62188672
5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795345
4-amino-6-methyl-5-propylpyridine-3-carbonitrile
CID 170229484
7-amino-2-benzyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 6462770

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 66490217) is 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is CCNc1nc2ncc(C#N)c(N)n2n1.
What is the InChIKey of 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is GENBMEOXNOFJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7/c1-2-11-7-13-8-12-4-5(3-9)6(10)15(8)14-7/h4H,2,10H2,1H3,(H,11,14).
What are the key properties of 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 203.21 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 66490217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).