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

C16H17Cl2N5O2 — CID 112956678

IUPACN-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
SMILESClc1cccc(Nc2cnnc(N3CCC4(CC3)OCCO4)n2)c1Cl
InChIInChI=1S/C16H17Cl2N5O2/c17-11-2-1-3-12(14(11)18)20-13-10-19-22-15(21-13)23-6-4-16(5-7-23)24-8-9-25-16/h1-3,10H,4-9H2,(H,20,21,22)
InChIKeyRFXCKDHGGKHKBI-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.27
Rot. Bonds3

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

N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine (PubChem CID 112956678) has the molecular formula C16H17Cl2N5O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
PubChem CID112956678
Molecular FormulaC16H17Cl2N5O2
Molecular Weight382.25 g/mol
Exact Mass381.08
IUPAC NameN-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
SMILESClc1cccc(Nc2cnnc(N3CCC4(CC3)OCCO4)n2)c1Cl
InChIInChI=1S/C16H17Cl2N5O2/c17-11-2-1-3-12(14(11)18)20-13-10-19-22-15(21-13)23-6-4-16(5-7-23)24-8-9-25-16/h1-3,10H,4-9H2,(H,20,21,22)
InChIKeyRFXCKDHGGKHKBI-UHFFFAOYSA-N
XLogP3.27
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(azepan-1-yl)-N-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
CID 112961449
1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947154
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-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine
CID 112922979
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
methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112956656
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942855
8-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112941091
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-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298452
2-(azepan-1-yl)-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 112901677
[4-[5-(2-chloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957825

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine (CID 112956678) is N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine is Clc1cccc(Nc2cnnc(N3CCC4(CC3)OCCO4)n2)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine?
The InChIKey is RFXCKDHGGKHKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O2/c17-11-2-1-3-12(14(11)18)20-13-10-19-22-15(21-13)23-6-4-16(5-7-23)24-8-9-25-16/h1-3,10H,4-9H2,(H,20,21,22).
What are the key properties of N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine?
N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine has a molecular weight of 382.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112956678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).