N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine

C9H9N5O — CID 59262873

IUPACN-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
SMILESCNc1ncc2c(n1)-c1nonc1CC2
InChIInChI=1S/C9H9N5O/c1-10-9-11-4-5-2-3-6-8(7(5)12-9)14-15-13-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyLNZVSEIVWPZSJY-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.67
Rot. Bonds1

About N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine

N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine (PubChem CID 59262873) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
PubChem CID59262873
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC NameN-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
SMILESCNc1ncc2c(n1)-c1nonc1CC2
InChIInChI=1S/C9H9N5O/c1-10-9-11-4-5-2-3-6-8(7(5)12-9)14-15-13-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyLNZVSEIVWPZSJY-UHFFFAOYSA-N
XLogP0.67
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
The IUPAC name of N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine (CID 59262873) is N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine.
What is the SMILES notation for N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
The canonical SMILES for N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine is CNc1ncc2c(n1)-c1nonc1CC2.
What is the InChIKey of N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
The InChIKey is LNZVSEIVWPZSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-10-9-11-4-5-2-3-6-8(7(5)12-9)14-15-13-6/h4H,2-3H2,1H3,(H,10,11,12).
What are the key properties of N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine has a molecular weight of 203.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine is sourced from PubChem (CID 59262873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).