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

C14H17N5O — CID 70560204

IUPACN-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
SMILESc1nc(NC2CCCCC2)nc2c1CCc1nonc1-2
InChIInChI=1S/C14H17N5O/c1-2-4-10(5-3-1)16-14-15-8-9-6-7-11-13(12(9)17-14)19-20-18-11/h8,10H,1-7H2,(H,15,16,17)
InChIKeyLXRXCQAIORYIIZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.37
Rot. Bonds2

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

N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine (PubChem CID 70560204) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
PubChem CID70560204
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine
SMILESc1nc(NC2CCCCC2)nc2c1CCc1nonc1-2
InChIInChI=1S/C14H17N5O/c1-2-4-10(5-3-1)16-14-15-8-9-6-7-11-13(12(9)17-14)19-20-18-11/h8,10H,1-7H2,(H,15,16,17)
InChIKeyLXRXCQAIORYIIZ-UHFFFAOYSA-N
XLogP2.37
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
The IUPAC name of N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine (CID 70560204) is N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine.
What is the SMILES notation for N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
The canonical SMILES for N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine is c1nc(NC2CCCCC2)nc2c1CCc1nonc1-2.
What is the InChIKey of N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
The InChIKey is LXRXCQAIORYIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-4-10(5-3-1)16-14-15-8-9-6-7-11-13(12(9)17-14)19-20-18-11/h8,10H,1-7H2,(H,15,16,17).
What are the key properties of N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine?
N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine has a molecular weight of 271.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-amine is sourced from PubChem (CID 70560204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).