7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C15H14N4 — CID 136709385

IUPAC7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc2c(C3CCNc4ncnn43)cccc2c1
InChIInChI=1S/C15H14N4/c1-2-6-12-11(4-1)5-3-7-13(12)14-8-9-16-15-17-10-18-19(14)15/h1-7,10,14H,8-9H2,(H,16,17,18)
InChIKeyPVQRELADSVNYTD-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.84
Rot. Bonds1

About 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136709385) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136709385
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc2c(C3CCNc4ncnn43)cccc2c1
InChIInChI=1S/C15H14N4/c1-2-6-12-11(4-1)5-3-7-13(12)14-8-9-16-15-17-10-18-19(14)15/h1-7,10,14H,8-9H2,(H,16,17,18)
InChIKeyPVQRELADSVNYTD-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136709385) is 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc2c(C3CCNc4ncnn43)cccc2c1.
What is the InChIKey of 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PVQRELADSVNYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-6-12-11(4-1)5-3-7-13(12)14-8-9-16-15-17-10-18-19(14)15/h1-7,10,14H,8-9H2,(H,16,17,18).
What are the key properties of 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 250.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).