3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline

C16H15N5 — CID 56590990

IUPAC3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline
SMILESCc1ccc2c(c1)CN1N=NN(Cc3ccccc3)C1=N2
InChIInChI=1S/C16H15N5/c1-12-7-8-15-14(9-12)11-21-16(17-15)20(18-19-21)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyPPMJVJODKXFUEL-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.60
Rot. Bonds2

About 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline

3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline (PubChem CID 56590990) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline
PubChem CID56590990
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline
SMILESCc1ccc2c(c1)CN1N=NN(Cc3ccccc3)C1=N2
InChIInChI=1S/C16H15N5/c1-12-7-8-15-14(9-12)11-21-16(17-15)20(18-19-21)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyPPMJVJODKXFUEL-UHFFFAOYSA-N
XLogP3.60
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline?
The IUPAC name of 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline (CID 56590990) is 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline.
What is the SMILES notation for 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline?
The canonical SMILES for 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline is Cc1ccc2c(c1)CN1N=NN(Cc3ccccc3)C1=N2.
What is the InChIKey of 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline?
The InChIKey is PPMJVJODKXFUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-12-7-8-15-14(9-12)11-21-16(17-15)20(18-19-21)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline?
3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline has a molecular weight of 277.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline is sourced from PubChem (CID 56590990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).