2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

C21H14N10 — CID 175743326

IUPAC2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nc(N)n2nc(Nc3ccccn3)nc2c1-c1ccncn1
InChIInChI=1S/C21H14N10/c22-11-13-5-1-2-6-14(13)18-17(15-8-10-24-12-26-15)19-29-21(30-31(19)20(23)28-18)27-16-7-3-4-9-25-16/h1-10,12H,(H2,23,28)(H,25,27,30)
InChIKeyIINYSOXPIUTQHK-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.84
Rot. Bonds4

About 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (PubChem CID 175743326) has the molecular formula C21H14N10 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
PubChem CID175743326
Molecular FormulaC21H14N10
Molecular Weight406.41 g/mol
Exact Mass406.14
IUPAC Name2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nc(N)n2nc(Nc3ccccn3)nc2c1-c1ccncn1
InChIInChI=1S/C21H14N10/c22-11-13-5-1-2-6-14(13)18-17(15-8-10-24-12-26-15)19-29-21(30-31(19)20(23)28-18)27-16-7-3-4-9-25-16/h1-10,12H,(H2,23,28)(H,25,27,30)
InChIKeyIINYSOXPIUTQHK-UHFFFAOYSA-N
XLogP2.84
TPSA143.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-(pyridin-2-ylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743348
2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile
CID 54598273
2-[5-amino-8-(1-methyl-6-oxopyridazin-3-yl)-2-[(6-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743346
2-[5-amino-8-(1-ethyl-6-oxo-3-pyridinyl)-2-[(3-methyl-2-pyridinyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743325
2-[4-amino-2-(azetidin-1-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 175980789
2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-2-[(3,6-dimethyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743349
2-[5-amino-2-[(3-fluoro-2-pyridinyl)methoxy]-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743337
2-[8-amino-2-[[2-(difluoromethoxy)-6-fluorophenyl]-hydroxymethyl]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 175980755
2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
CID 123691266
2-N-pyridin-2-yl-1,3,5-triazine-2,4-diamine
CID 15184533
3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307207
2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
CID 107936690

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (CID 175743326) is 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is N#Cc1ccccc1-c1nc(N)n2nc(Nc3ccccn3)nc2c1-c1ccncn1.
What is the InChIKey of 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is IINYSOXPIUTQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N10/c22-11-13-5-1-2-6-14(13)18-17(15-8-10-24-12-26-15)19-29-21(30-31(19)20(23)28-18)27-16-7-3-4-9-25-16/h1-10,12H,(H2,23,28)(H,25,27,30).
What are the key properties of 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 406.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 175743326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).