5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline

C14H13N5 — CID 135737549

IUPAC5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline
SMILESC1=C2C(=CCC1)n1nnnc1NC2c1ccccc1
InChIInChI=1S/C14H13N5/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)19-14(15-13)16-17-18-19/h1-3,6-9,13H,4-5H2,(H,15,16,18)
InChIKeyRZYIQBQHRGARNB-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.40
Rot. Bonds1

About 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline

5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline (PubChem CID 135737549) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline
PubChem CID135737549
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline
SMILESC1=C2C(=CCC1)n1nnnc1NC2c1ccccc1
InChIInChI=1S/C14H13N5/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)19-14(15-13)16-17-18-19/h1-3,6-9,13H,4-5H2,(H,15,16,18)
InChIKeyRZYIQBQHRGARNB-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline?
The IUPAC name of 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline (CID 135737549) is 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline?
The canonical SMILES for 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline is C1=C2C(=CCC1)n1nnnc1NC2c1ccccc1.
What is the InChIKey of 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline?
The InChIKey is RZYIQBQHRGARNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)19-14(15-13)16-17-18-19/h1-3,6-9,13H,4-5H2,(H,15,16,18).
What are the key properties of 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline?
5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline has a molecular weight of 251.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,5,7,8-tetrahydrotetrazolo[1,5-a]quinazoline is sourced from PubChem (CID 135737549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).