3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride

C17H20ClN3 — CID 12582350

IUPAC3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride
SMILESCl.c1ccc(CC(C2=NCCNN2)c2ccccc2)cc1
InChIInChI=1S/C17H19N3.ClH/c1-3-7-14(8-4-1)13-16(15-9-5-2-6-10-15)17-18-11-12-19-20-17;/h1-10,16,19H,11-13H2,(H,18,20);1H
InChIKeyYQUAOWNIIVZNAK-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.94
Rot. Bonds4

About 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride

3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride (PubChem CID 12582350) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride.

Molecular Properties

Compound Name3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride
PubChem CID12582350
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride
SMILESCl.c1ccc(CC(C2=NCCNN2)c2ccccc2)cc1
InChIInChI=1S/C17H19N3.ClH/c1-3-7-14(8-4-1)13-16(15-9-5-2-6-10-15)17-18-11-12-19-20-17;/h1-10,16,19H,11-13H2,(H,18,20);1H
InChIKeyYQUAOWNIIVZNAK-UHFFFAOYSA-N
XLogP2.94
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride?
The IUPAC name of 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride (CID 12582350) is 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride.
What is the SMILES notation for 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride?
The canonical SMILES for 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride is Cl.c1ccc(CC(C2=NCCNN2)c2ccccc2)cc1.
What is the InChIKey of 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride?
The InChIKey is YQUAOWNIIVZNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.ClH/c1-3-7-14(8-4-1)13-16(15-9-5-2-6-10-15)17-18-11-12-19-20-17;/h1-10,16,19H,11-13H2,(H,18,20);1H.
What are the key properties of 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride?
3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-diphenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine;hydrochloride is sourced from PubChem (CID 12582350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).