8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C14H21N5O2 — CID 112941091

IUPAC8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1nnc(N2CCC3(CC2)OCCO3)nc1N1CCCC1
InChIInChI=1S/C14H21N5O2/c1-2-6-18(5-1)12-11-15-17-13(16-12)19-7-3-14(4-8-19)20-9-10-21-14/h11H,1-10H2
InChIKeyXWAOODHRPGMHNK-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.82
Rot. Bonds2

About 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112941091) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112941091
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1nnc(N2CCC3(CC2)OCCO3)nc1N1CCCC1
InChIInChI=1S/C14H21N5O2/c1-2-6-18(5-1)12-11-15-17-13(16-12)19-7-3-14(4-8-19)20-9-10-21-14/h11H,1-10H2
InChIKeyXWAOODHRPGMHNK-UHFFFAOYSA-N
XLogP0.82
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

1-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)azepane
CID 112941121
ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112956468
8-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112910200
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938548
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
1-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]azepane
CID 112955538
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-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 112944751
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112956478
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112956574
N-(2,5-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956607
N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine
CID 112956495

Frequently Asked Questions

What is the IUPAC name of 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 112941091) is 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane is c1nnc(N2CCC3(CC2)OCCO3)nc1N1CCCC1.
What is the InChIKey of 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is XWAOODHRPGMHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-6-18(5-1)12-11-15-17-13(16-12)19-7-3-14(4-8-19)20-9-10-21-14/h11H,1-10H2.
What are the key properties of 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 291.35 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112941091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).