3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine

C17H19N3 — CID 124504493

IUPAC3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
SMILESc1ccc(C[C@@H](C2=NCCNN2)c2ccccc2)cc1
InChIInChI=1S/C17H19N3/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)/t16-/m1/s1
InChIKeyQQZDRBLYFGVUER-MRXNPFEDSA-N
MW265.36 g/mol
LogP2.52
Rot. Bonds4

About 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine

3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine (PubChem CID 124504493) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine.

Molecular Properties

Compound Name3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
PubChem CID124504493
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
SMILESc1ccc(C[C@@H](C2=NCCNN2)c2ccccc2)cc1
InChIInChI=1S/C17H19N3/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)/t16-/m1/s1
InChIKeyQQZDRBLYFGVUER-MRXNPFEDSA-N
XLogP2.52
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine?
The IUPAC name of 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine (CID 124504493) is 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine.
What is the SMILES notation for 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine?
The canonical SMILES for 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine is c1ccc(C[C@@H](C2=NCCNN2)c2ccccc2)cc1.
What is the InChIKey of 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine?
The InChIKey is QQZDRBLYFGVUER-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3/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)/t16-/m1/s1.
What are the key properties of 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine?
3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine has a molecular weight of 265.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine is sourced from PubChem (CID 124504493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).