5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline

C14H10N6O2 — CID 4522525

IUPAC5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline
SMILESO=[N+]([O-])c1ccc(C2Nc3ccccc3-c3nnnn32)cc1
InChIInChI=1S/C14H10N6O2/c21-20(22)10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14-16-17-18-19(13)14/h1-8,13,15H
InChIKeyWQTUGHGVIUOVPX-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.22
Rot. Bonds2

About 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline

5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline (PubChem CID 4522525) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline
PubChem CID4522525
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline
SMILESO=[N+]([O-])c1ccc(C2Nc3ccccc3-c3nnnn32)cc1
InChIInChI=1S/C14H10N6O2/c21-20(22)10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14-16-17-18-19(13)14/h1-8,13,15H
InChIKeyWQTUGHGVIUOVPX-UHFFFAOYSA-N
XLogP2.22
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 752491
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
2-methyl-6-(4-nitrophenyl)-3,4,6,7-tetrahydro-[1,2,4]triazino[4,3-c]quinazoline
CID 135590682
(2S)-3-[(2R)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012010
2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline
CID 132933614
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011773
5-(2-bromophenyl)-1-(4-nitrophenyl)tetrazole
CID 19935790
(7S)-5-(4-bromophenyl)-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1422464
3-(4-bromophenyl)-2-(4-nitrophenyl)-1,2-dihydrobenzo[g]quinazolin-4-one
CID 10005101
ethyl (7S)-5-methyl-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 746542
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-nitrophenol
CID 3956379
tert-butyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135795711

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline (CID 4522525) is 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline is O=[N+]([O-])c1ccc(C2Nc3ccccc3-c3nnnn32)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline?
The InChIKey is WQTUGHGVIUOVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2/c21-20(22)10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14-16-17-18-19(13)14/h1-8,13,15H.
What are the key properties of 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline?
5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline has a molecular weight of 294.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline is sourced from PubChem (CID 4522525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).