N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine

C14H24N6O2 — CID 112944751

IUPACN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cnnc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C14H24N6O2/c1-19(2)8-5-15-12-11-16-18-13(17-12)20-6-3-14(4-7-20)21-9-10-22-14/h11H,3-10H2,1-2H3,(H,15,17,18)
InChIKeyUIGJDHHUKYYMIL-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.19
Rot. Bonds5

About N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 112944751) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID112944751
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cnnc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C14H24N6O2/c1-19(2)8-5-15-12-11-16-18-13(17-12)20-6-3-14(4-7-20)21-9-10-22-14/h11H,3-10H2,1-2H3,(H,15,17,18)
InChIKeyUIGJDHHUKYYMIL-UHFFFAOYSA-N
XLogP0.19
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112944713
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 112944782
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
N-(2,5-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956607
8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112941091
N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956678
N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944274
N-[3-(4-benzylpiperazin-1-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112945449
ethyl 4-[5-[3-(dimethylamino)propylamino]-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112945459
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938548
N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109253348
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine
CID 112897491

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]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 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) is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cnnc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UIGJDHHUKYYMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-19(2)8-5-15-12-11-16-18-13(17-12)20-6-3-14(4-7-20)21-9-10-22-14/h11H,3-10H2,1-2H3,(H,15,17,18).
What are the key properties of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 308.39 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 112944751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).