6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline

C8H9N5 — CID 2319614

IUPAC6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline
SMILESc1nc2nnnn2c2c1CCCC2
InChIInChI=1S/C8H9N5/c1-2-4-7-6(3-1)5-9-8-10-11-12-13(7)8/h5H,1-4H2
InChIKeyYHOIRNJIKZDBML-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.40
Rot. Bonds

About 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline

6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline (PubChem CID 2319614) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline
PubChem CID2319614
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline
SMILESc1nc2nnnn2c2c1CCCC2
InChIInChI=1S/C8H9N5/c1-2-4-7-6(3-1)5-9-8-10-11-12-13(7)8/h5H,1-4H2
InChIKeyYHOIRNJIKZDBML-UHFFFAOYSA-N
XLogP0.40
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6,7,8-Tetrahydroquinazolin-2-amine
CID 224783
9-Methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
CID 1481962
7-Methyl-6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
CID 4223538
N-prop-2-enyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
CID 3231396
5,6,7,8-Tetrahydroquinazoline
CID 637537
4-Piperidin-1-yl-5,6,7,8-tetrahydro-1,2,3,3a,9-pentaaza-cyclopenta[b]naphthalene
CID 1448314
2-Chloro-5,6,7,8-tetrahydroquinazoline
CID 12933876
N,N-dimethyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 56708235
2,3,5,7-Tetrazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene
CID 57327900
2-Methyl-5,6,7,8-tetrahydroquinazoline
CID 238183
1-{5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}pyrrolidine
CID 46094469
6,7,8,9-Tetrahydropyrazolo[1,5-a]quinazoline
CID 14472411

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline?
The IUPAC name of 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline (CID 2319614) is 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline.
What is the SMILES notation for 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline?
The canonical SMILES for 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline is c1nc2nnnn2c2c1CCCC2.
What is the InChIKey of 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline?
The InChIKey is YHOIRNJIKZDBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-4-7-6(3-1)5-9-8-10-11-12-13(7)8/h5H,1-4H2.
What are the key properties of 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline?
6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline has a molecular weight of 175.19 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydrotetrazolo[1,5-a]quinazoline is sourced from PubChem (CID 2319614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).