N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine

C14H18N6O3 — CID 112956689

IUPACN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cnnc(N3CCC4(CC3)OCCO4)n2)no1
InChIInChI=1S/C14H18N6O3/c1-10-8-11(19-23-10)16-12-9-15-18-13(17-12)20-4-2-14(3-5-20)21-6-7-22-14/h8-9H,2-7H2,1H3,(H,16,17,18,19)
InChIKeyOIWDKLVZVBLDJZ-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.25
Rot. Bonds3

About N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 112956689) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID112956689
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cnnc(N3CCC4(CC3)OCCO4)n2)no1
InChIInChI=1S/C14H18N6O3/c1-10-8-11(19-23-10)16-12-9-15-18-13(17-12)20-4-2-14(3-5-20)21-6-7-22-14/h8-9H,2-7H2,1H3,(H,16,17,18,19)
InChIKeyOIWDKLVZVBLDJZ-UHFFFAOYSA-N
XLogP1.25
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine with MolForge

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Related Compounds

N-(2,5-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956607
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 112944751
N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956678
methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112956656
8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112941091
ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112956468
5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945415
3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112939479
N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine
CID 112956495
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112897507
N-(2,5-dimethylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298428
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112922997

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine (CID 112956689) is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(Nc2cnnc(N3CCC4(CC3)OCCO4)n2)no1.
What is the InChIKey of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is OIWDKLVZVBLDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-10-8-11(19-23-10)16-12-9-15-18-13(17-12)20-4-2-14(3-5-20)21-6-7-22-14/h8-9H,2-7H2,1H3,(H,16,17,18,19).
What are the key properties of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine?
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 318.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 112956689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).