N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine

C18H22N6O — CID 118466926

IUPACN-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESc1nc2c(Nc3cc4n(n3)CCOC4)cc(C3CCCCC3)cn2n1
InChIInChI=1S/C18H22N6O/c1-2-4-13(5-3-1)14-8-16(18-19-12-20-24(18)10-14)21-17-9-15-11-25-7-6-23(15)22-17/h8-10,12-13H,1-7,11H2,(H,21,22)
InChIKeyCYPHBPFBEKZLBV-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.25
Rot. Bonds3

About N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine

N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (PubChem CID 118466926) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
PubChem CID118466926
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESc1nc2c(Nc3cc4n(n3)CCOC4)cc(C3CCCCC3)cn2n1
InChIInChI=1S/C18H22N6O/c1-2-4-13(5-3-1)14-8-16(18-19-12-20-24(18)10-14)21-17-9-15-11-25-7-6-23(15)22-17/h8-10,12-13H,1-7,11H2,(H,21,22)
InChIKeyCYPHBPFBEKZLBV-UHFFFAOYSA-N
XLogP3.25
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The IUPAC name of N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (CID 118466926) is N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine.
What is the SMILES notation for N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The canonical SMILES for N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine is c1nc2c(Nc3cc4n(n3)CCOC4)cc(C3CCCCC3)cn2n1.
What is the InChIKey of N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The InChIKey is CYPHBPFBEKZLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-2-4-13(5-3-1)14-8-16(18-19-12-20-24(18)10-14)21-17-9-15-11-25-7-6-23(15)22-17/h8-10,12-13H,1-7,11H2,(H,21,22).
What are the key properties of N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine has a molecular weight of 338.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine is sourced from PubChem (CID 118466926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).