N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine

C13H18N6O2 — CID 10732243

IUPACN-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine
SMILESONc1c2c(nc3nc(N4CCOCC4)nn13)CCCC2
InChIInChI=1S/C13H18N6O2/c20-17-11-9-3-1-2-4-10(9)14-12-15-13(16-19(11)12)18-5-7-21-8-6-18/h17,20H,1-8H2
InChIKeyVMKYOWKFGOVBBS-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.64
Rot. Bonds2

About N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine

N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine (PubChem CID 10732243) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine
PubChem CID10732243
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine
SMILESONc1c2c(nc3nc(N4CCOCC4)nn13)CCCC2
InChIInChI=1S/C13H18N6O2/c20-17-11-9-3-1-2-4-10(9)14-12-15-13(16-19(11)12)18-5-7-21-8-6-18/h17,20H,1-8H2
InChIKeyVMKYOWKFGOVBBS-UHFFFAOYSA-N
XLogP0.64
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine?
The IUPAC name of N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine (CID 10732243) is N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine.
What is the SMILES notation for N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine?
The canonical SMILES for N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine is ONc1c2c(nc3nc(N4CCOCC4)nn13)CCCC2.
What is the InChIKey of N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine?
The InChIKey is VMKYOWKFGOVBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c20-17-11-9-3-1-2-4-10(9)14-12-15-13(16-19(11)12)18-5-7-21-8-6-18/h17,20H,1-8H2.
What are the key properties of N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine?
N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine has a molecular weight of 290.33 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)hydroxylamine is sourced from PubChem (CID 10732243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).