5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine

C17H13N5O — CID 135234233

IUPAC5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccco2)cc2cccnc12
InChIInChI=1S/C17H13N5O/c1-10-8-12(9-11-4-2-6-19-14(10)11)15-16(13-5-3-7-23-13)20-17(18)22-21-15/h2-9H,1H3,(H2,18,20,22)
InChIKeyULOLQZGGLLMKQZ-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.24
Rot. Bonds2

About 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine

5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine (PubChem CID 135234233) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine
PubChem CID135234233
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccco2)cc2cccnc12
InChIInChI=1S/C17H13N5O/c1-10-8-12(9-11-4-2-6-19-14(10)11)15-16(13-5-3-7-23-13)20-17(18)22-21-15/h2-9H,1H3,(H2,18,20,22)
InChIKeyULOLQZGGLLMKQZ-UHFFFAOYSA-N
XLogP3.24
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Triazolopyridazine, 10n
CID 24865176
3-[(4-Amino-3-ethylphenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874756
Ferene Triazine
CID 146157
6-[Difluoro-[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045832
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-benzoic acid ethyl ester
CID 11268096
1-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-ethanone
CID 11359069
2-Furan-2-yl-5-(4-quinolin-3-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11362353
2-Furan-2-yl-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 11381852
2-Furan-2-yl-5-(4-quinolin-4-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11475853
7-(furan-2-yl)-3-(1H-indazol-5-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874662
7-(furan-2-yl)-3-(1H-indol-5-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874675
4-(Furan-2-yl)-10-[2-(2-methylquinolin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 24894065

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine (CID 135234233) is 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2ccco2)cc2cccnc12.
What is the InChIKey of 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The InChIKey is ULOLQZGGLLMKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-10-8-12(9-11-4-2-6-19-14(10)11)15-16(13-5-3-7-23-13)20-17(18)22-21-15/h2-9H,1H3,(H2,18,20,22).
What are the key properties of 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine has a molecular weight of 303.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).