7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C12H10N6 — CID 135487451

IUPAC7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)n2ncnc2NC1c1ccccc1
InChIInChI=1S/C12H10N6/c13-6-9-10(8-4-2-1-3-5-8)17-12-15-7-16-18(12)11(9)14/h1-5,7,10H,14H2,(H,15,16,17)
InChIKeyXGOXBJKDUOBVLU-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.10
Rot. Bonds1

About 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 135487451) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID135487451
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)n2ncnc2NC1c1ccccc1
InChIInChI=1S/C12H10N6/c13-6-9-10(8-4-2-1-3-5-8)17-12-15-7-16-18(12)11(9)14/h1-5,7,10H,14H2,(H,15,16,17)
InChIKeyXGOXBJKDUOBVLU-UHFFFAOYSA-N
XLogP1.10
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 135487451) is 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is N#CC1=C(N)n2ncnc2NC1c1ccccc1.
What is the InChIKey of 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is XGOXBJKDUOBVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-6-9-10(8-4-2-1-3-5-8)17-12-15-7-16-18(12)11(9)14/h1-5,7,10H,14H2,(H,15,16,17).
What are the key properties of 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 135487451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).