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

C18H23N5O3 — CID 112950902

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccccc1CNc1nncc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C18H23N5O3/c1-24-15-5-3-2-4-14(15)12-19-17-21-16(13-20-22-17)23-8-6-18(7-9-23)25-10-11-26-18/h2-5,13H,6-12H2,1H3,(H,19,21,22)
InChIKeyZYNJLIAITLMUOJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.84
Rot. Bonds5

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

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 112950902) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
PubChem CID112950902
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccccc1CNc1nncc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C18H23N5O3/c1-24-15-5-3-2-4-14(15)12-19-17-21-16(13-20-22-17)23-8-6-18(7-9-23)25-10-11-26-18/h2-5,13H,6-12H2,1H3,(H,19,21,22)
InChIKeyZYNJLIAITLMUOJ-UHFFFAOYSA-N
XLogP1.84
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950896
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112956478
N-(3-chloro-4-methoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine
CID 112956522
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282193
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897280
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306249
N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine
CID 112956495
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112949741
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941828

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (CID 112950902) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is COc1ccccc1CNc1nncc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is ZYNJLIAITLMUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-24-15-5-3-2-4-14(15)12-19-17-21-16(13-20-22-17)23-8-6-18(7-9-23)25-10-11-26-18/h2-5,13H,6-12H2,1H3,(H,19,21,22).
What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 357.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112950902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).