N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine

C18H13FN6 — CID 46847192

IUPACN-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
SMILESFc1ccc(-c2nnc3nc(NCc4ccccc4)ncc3n2)cc1
InChIInChI=1S/C18H13FN6/c19-14-8-6-13(7-9-14)16-22-15-11-21-18(23-17(15)25-24-16)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23,25)
InChIKeyRYNFVGJNDDOCPO-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.23
Rot. Bonds4

About N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine

N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine (PubChem CID 46847192) has the molecular formula C18H13FN6 and a molecular weight of 332.34 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
PubChem CID46847192
Molecular FormulaC18H13FN6
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC NameN-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
SMILESFc1ccc(-c2nnc3nc(NCc4ccccc4)ncc3n2)cc1
InChIInChI=1S/C18H13FN6/c19-14-8-6-13(7-9-14)16-22-15-11-21-18(23-17(15)25-24-16)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23,25)
InChIKeyRYNFVGJNDDOCPO-UHFFFAOYSA-N
XLogP3.23
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46847294
N-benzyl-3-(4-fluorophenyl)-5-piperazin-1-ylpyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846458
N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 53037152
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
5-(4-benzylpiperazin-1-yl)-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrimido[5,4-e][1,2,4]triazin-7-amine
CID 70876738
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23434569
5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846851
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807953
N-benzyl-8-bromoquinazolin-2-amine
CID 165491596

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine (CID 46847192) is N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine is Fc1ccc(-c2nnc3nc(NCc4ccccc4)ncc3n2)cc1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine?
The InChIKey is RYNFVGJNDDOCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6/c19-14-8-6-13(7-9-14)16-22-15-11-21-18(23-17(15)25-24-16)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23,25).
What are the key properties of N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine?
N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine has a molecular weight of 332.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine is sourced from PubChem (CID 46847192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).