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

C18H23N5O2 — CID 112956495

IUPACN-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(C)c(Nc2nncc(N3CCC4(CC3)OCCO4)n2)c1
InChIInChI=1S/C18H23N5O2/c1-13-3-4-14(2)15(11-13)20-17-21-16(12-19-22-17)23-7-5-18(6-8-23)24-9-10-25-18/h3-4,11-12H,5-10H2,1-2H3,(H,20,21,22)
InChIKeyDBCOUZIGCDYKNA-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.58
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine (PubChem CID 112956495) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine
PubChem CID112956495
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(C)c(Nc2nncc(N3CCC4(CC3)OCCO4)n2)c1
InChIInChI=1S/C18H23N5O2/c1-13-3-4-14(2)15(11-13)20-17-21-16(12-19-22-17)23-7-5-18(6-8-23)24-9-10-25-18/h3-4,11-12H,5-10H2,1-2H3,(H,20,21,22)
InChIKeyDBCOUZIGCDYKNA-UHFFFAOYSA-N
XLogP2.58
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897394
N-(2,5-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956607
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112956574
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938548
N-(5-chloro-2-methylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112922883
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-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112956478
[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261584
N-(5-chloro-2-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958061
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950902
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79026576

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine (CID 112956495) is N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine is Cc1ccc(C)c(Nc2nncc(N3CCC4(CC3)OCCO4)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine?
The InChIKey is DBCOUZIGCDYKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-3-4-14(2)15(11-13)20-17-21-16(12-19-22-17)23-7-5-18(6-8-23)24-9-10-25-18/h3-4,11-12H,5-10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine?
N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine has a molecular weight of 341.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112956495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).