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

C14H13N5 — CID 136840374

IUPAC7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESc1ccc2cc(C3CCNc4nnnn43)ccc2c1
InChIInChI=1S/C14H13N5/c1-2-4-11-9-12(6-5-10(11)3-1)13-7-8-15-14-16-17-18-19(13)14/h1-6,9,13H,7-8H2,(H,15,16,18)
InChIKeyIXHJDWAWFVYARE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.23
Rot. Bonds1

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

7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136840374) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID136840374
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESc1ccc2cc(C3CCNc4nnnn43)ccc2c1
InChIInChI=1S/C14H13N5/c1-2-4-11-9-12(6-5-10(11)3-1)13-7-8-15-14-16-17-18-19(13)14/h1-6,9,13H,7-8H2,(H,15,16,18)
InChIKeyIXHJDWAWFVYARE-UHFFFAOYSA-N
XLogP2.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 136840374) is 7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is c1ccc2cc(C3CCNc4nnnn43)ccc2c1.
What is the InChIKey of 7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is IXHJDWAWFVYARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-4-11-9-12(6-5-10(11)3-1)13-7-8-15-14-16-17-18-19(13)14/h1-6,9,13H,7-8H2,(H,15,16,18).
What are the key properties of 7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 251.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).