5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine

C15H12N4O — CID 82486305

IUPAC5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H12N4O/c16-15-18-14(10-17-19-15)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-10H,(H2,16,18,19)
InChIKeyCQMYYGVWBXXOTP-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.91
Rot. Bonds3

About 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine

5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 82486305) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID82486305
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H12N4O/c16-15-18-14(10-17-19-15)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-10H,(H2,16,18,19)
InChIKeyCQMYYGVWBXXOTP-UHFFFAOYSA-N
XLogP2.91
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine
CID 43145511
5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine
CID 43134548
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
CID 2246096
4-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenoxy]phenoxy]phenyl]-2,6-diphenylpyridine
CID 58692915
[6-(4-phenoxyphenyl)pyridazin-3-yl]hydrazine
CID 10265556
4,5,10,11,16,17-hexakis(4-phenoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 86035796
4-phenoxyaniline
CID 158390066
5-(4-phenoxyphenyl)-1H-imidazol-2-amine
CID 82297784
5-(1,3-thiazol-5-yl)-1,2,4-triazin-3-amine
CID 82409665
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
6-phenoxyquinazolin-2-amine
CID 151514344
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
CID 138967549

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine (CID 82486305) is 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine is Nc1nncc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is CQMYYGVWBXXOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15-18-14(10-17-19-15)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-10H,(H2,16,18,19).
What are the key properties of 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 264.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 82486305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).