6-benzhydryloxy-1,3,5-triazine-2,4-diamine

C16H15N5O — CID 71405341

IUPAC6-benzhydryloxy-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C16H15N5O/c17-14-19-15(18)21-16(20-14)22-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H4,17,18,19,20,21)
InChIKeyNOWUUKZBQRGGRY-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.20
Rot. Bonds4

About 6-benzhydryloxy-1,3,5-triazine-2,4-diamine

6-benzhydryloxy-1,3,5-triazine-2,4-diamine (PubChem CID 71405341) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-benzhydryloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-benzhydryloxy-1,3,5-triazine-2,4-diamine
PubChem CID71405341
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name6-benzhydryloxy-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C16H15N5O/c17-14-19-15(18)21-16(20-14)22-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H4,17,18,19,20,21)
InChIKeyNOWUUKZBQRGGRY-UHFFFAOYSA-N
XLogP2.20
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzhydryloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-benzhydryloxy-1,3,5-triazine-2,4-diamine (CID 71405341) is 6-benzhydryloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-benzhydryloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-benzhydryloxy-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(OC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 6-benzhydryloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NOWUUKZBQRGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-14-19-15(18)21-16(20-14)22-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H4,17,18,19,20,21).
What are the key properties of 6-benzhydryloxy-1,3,5-triazine-2,4-diamine?
6-benzhydryloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 293.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydryloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71405341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).