5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine

C18H13FN6O — CID 135234390

IUPAC5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine
SMILESCOc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H13FN6O/c1-26-17-13-8-11(4-7-14(13)21-9-22-17)16-15(23-18(20)25-24-16)10-2-5-12(19)6-3-10/h2-9H,1H3,(H2,20,23,25)
InChIKeyUQOMFUFJBGNXHW-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.88
Rot. Bonds3

About 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine

5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine (PubChem CID 135234390) has the molecular formula C18H13FN6O and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine
PubChem CID135234390
Molecular FormulaC18H13FN6O
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC Name5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine
SMILESCOc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H13FN6O/c1-26-17-13-8-11(4-7-14(13)21-9-22-17)16-15(23-18(20)25-24-16)10-2-5-12(19)6-3-10/h2-9H,1H3,(H2,20,23,25)
InChIKeyUQOMFUFJBGNXHW-UHFFFAOYSA-N
XLogP2.88
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[1-(3-Methoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine
CID 163214075
7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine
CID 59837589
N-(2-fluoro-2-methylpropyl)-5-(4-methoxyquinazolin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 168219529
[7-(2-Fluoro-6-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-phenyl-amine
CID 18455758
4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 24958560
4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline
CID 10295220
4-Ethoxy-6-(4-fluorophenyl)-quinazoline
CID 24958428
6-(4-Fluorophenyl)-4-methoxyquinazoline
CID 24958429
6-(4-Fluorophenyl)-4-propoxyquinazoline
CID 24958785
6-(4-Fluorophenyl)-4-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine
CID 24964591
7-(2-Fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
CID 59837689
7-(2-Fluoro-3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
CID 59837701

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine (CID 135234390) is 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine is COc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine?
The InChIKey is UQOMFUFJBGNXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O/c1-26-17-13-8-11(4-7-14(13)21-9-22-17)16-15(23-18(20)25-24-16)10-2-5-12(19)6-3-10/h2-9H,1H3,(H2,20,23,25).
What are the key properties of 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine?
5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine has a molecular weight of 348.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(4-methoxyquinazolin-6-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).