4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine

C12H16N6O — CID 652418

IUPAC4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine
SMILESC1CCc2c(nc3nnnn3c2N2CCOCC2)C1
InChIInChI=1S/C12H16N6O/c1-2-4-10-9(3-1)11(17-5-7-19-8-6-17)18-12(13-10)14-15-16-18/h1-8H2
InChIKeyOQQYOHFBAOWHRN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.23
Rot. Bonds1

About 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine

4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine (PubChem CID 652418) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine
PubChem CID652418
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine
SMILESC1CCc2c(nc3nnnn3c2N2CCOCC2)C1
InChIInChI=1S/C12H16N6O/c1-2-4-10-9(3-1)11(17-5-7-19-8-6-17)18-12(13-10)14-15-16-18/h1-8H2
InChIKeyOQQYOHFBAOWHRN-UHFFFAOYSA-N
XLogP0.23
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-Morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 654158
N-(3-methoxypropyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
CID 3231392
9-(2,6-Dimethyl-morpholin-4-yl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 648149
N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
CID 644732
9-(2,6-Dimethyl-morpholin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 655833
4-Piperidin-1-yl-5,6,7,8-tetrahydro-1,2,3,3a,9-pentaaza-cyclopenta[b]naphthalene
CID 1448314
4-Methyl-2-morpholino-5,6,7,8-tetrahydroquinazoline
CID 1484754
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 72044444
N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~4~-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72854321
4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 97195642
4-[2-(Fluoromethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155952172
4-[2-(2-Fluoroethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155953106

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine?
The IUPAC name of 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine (CID 652418) is 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine?
The canonical SMILES for 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine is C1CCc2c(nc3nnnn3c2N2CCOCC2)C1.
What is the InChIKey of 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine?
The InChIKey is OQQYOHFBAOWHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-4-10-9(3-1)11(17-5-7-19-8-6-17)18-12(13-10)14-15-16-18/h1-8H2.
What are the key properties of 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine?
4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine has a molecular weight of 260.30 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-yl)morpholine is sourced from PubChem (CID 652418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).