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

C10H11N5O — CID 70893975

IUPACN-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
SMILESCCNc1ncc2c(n1)-c1nonc1CC2
InChIInChI=1S/C10H11N5O/c1-2-11-10-12-5-6-3-4-7-9(8(6)13-10)15-16-14-7/h5H,2-4H2,1H3,(H,11,12,13)
InChIKeyBQZKLSACIGUCGW-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.06
Rot. Bonds2

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

N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine (PubChem CID 70893975) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
PubChem CID70893975
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
SMILESCCNc1ncc2c(n1)-c1nonc1CC2
InChIInChI=1S/C10H11N5O/c1-2-11-10-12-5-6-3-4-7-9(8(6)13-10)15-16-14-7/h5H,2-4H2,1H3,(H,11,12,13)
InChIKeyBQZKLSACIGUCGW-UHFFFAOYSA-N
XLogP1.06
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
The IUPAC name of N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine (CID 70893975) is N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine.
What is the SMILES notation for N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
The canonical SMILES for N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine is CCNc1ncc2c(n1)-c1nonc1CC2.
What is the InChIKey of N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
The InChIKey is BQZKLSACIGUCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-2-11-10-12-5-6-3-4-7-9(8(6)13-10)15-16-14-7/h5H,2-4H2,1H3,(H,11,12,13).
What are the key properties of N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine has a molecular weight of 217.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine is sourced from PubChem (CID 70893975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).