4-phenyl-5,6-dihydro-1H-1,2,4-triazine

C9H11N3 — CID 141304061

IUPAC4-phenyl-5,6-dihydro-1H-1,2,4-triazine
SMILESC1=NNCCN1c1ccccc1
InChIInChI=1S/C9H11N3/c1-2-4-9(5-3-1)12-7-6-10-11-8-12/h1-5,8,10H,6-7H2
InChIKeyMSNOQJLKTAXOSE-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.04
Rot. Bonds1

About 4-phenyl-5,6-dihydro-1H-1,2,4-triazine

4-phenyl-5,6-dihydro-1H-1,2,4-triazine (PubChem CID 141304061) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 4-phenyl-5,6-dihydro-1H-1,2,4-triazine.

Molecular Properties

Compound Name4-phenyl-5,6-dihydro-1H-1,2,4-triazine
PubChem CID141304061
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name4-phenyl-5,6-dihydro-1H-1,2,4-triazine
SMILESC1=NNCCN1c1ccccc1
InChIInChI=1S/C9H11N3/c1-2-4-9(5-3-1)12-7-6-10-11-8-12/h1-5,8,10H,6-7H2
InChIKeyMSNOQJLKTAXOSE-UHFFFAOYSA-N
XLogP1.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4,5-dihydroimidazole;hydroiodide
CID 51062680
7-phenyl-4,7-diazaspiro[2.5]octane
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4-(2-iodophenyl)-1,5-dihydro-1,2,4-triazole
CID 141280112
3-methyl-1-phenyl-2H-tetrazole
CID 86154353
3,4-diphenyl-2H-tetrazole
CID 91195326
1-(4-fluorophenyl)-3-phenyl-2H-imidazole
CID 59404000
4-phenyl-1,2,4-dithiazolidine
CID 101427405
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
4-methyl-1-phenyl-3,4-dihydro-2H-pyridine
CID 123659358
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride
CID 22291216
3,5-diphenyl-1,2-dihydroimidazole
CID 118519198

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5,6-dihydro-1H-1,2,4-triazine?
The IUPAC name of 4-phenyl-5,6-dihydro-1H-1,2,4-triazine (CID 141304061) is 4-phenyl-5,6-dihydro-1H-1,2,4-triazine.
What is the SMILES notation for 4-phenyl-5,6-dihydro-1H-1,2,4-triazine?
The canonical SMILES for 4-phenyl-5,6-dihydro-1H-1,2,4-triazine is C1=NNCCN1c1ccccc1.
What is the InChIKey of 4-phenyl-5,6-dihydro-1H-1,2,4-triazine?
The InChIKey is MSNOQJLKTAXOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-4-9(5-3-1)12-7-6-10-11-8-12/h1-5,8,10H,6-7H2.
What are the key properties of 4-phenyl-5,6-dihydro-1H-1,2,4-triazine?
4-phenyl-5,6-dihydro-1H-1,2,4-triazine has a molecular weight of 161.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5,6-dihydro-1H-1,2,4-triazine is sourced from PubChem (CID 141304061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).