2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine

C17H15N9 — CID 17448744

IUPAC2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cn2nnc(-c3ccccc3)n2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H15N9/c18-16-20-14(21-17(22-16)19-13-9-5-2-6-10-13)11-26-24-15(23-25-26)12-7-3-1-4-8-12/h1-10H,11H2,(H3,18,19,20,21,22)
InChIKeyRNJSIAXYCCWTCI-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.90
Rot. Bonds5

About 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17448744) has the molecular formula C17H15N9 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID17448744
Molecular FormulaC17H15N9
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cn2nnc(-c3ccccc3)n2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H15N9/c18-16-20-14(21-17(22-16)19-13-9-5-2-6-10-13)11-26-24-15(23-25-26)12-7-3-1-4-8-12/h1-10H,11H2,(H3,18,19,20,21,22)
InChIKeyRNJSIAXYCCWTCI-UHFFFAOYSA-N
XLogP1.90
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 17448744) is 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(Cn2nnc(-c3ccccc3)n2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RNJSIAXYCCWTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9/c18-16-20-14(21-17(22-16)19-13-9-5-2-6-10-13)11-26-24-15(23-25-26)12-7-3-1-4-8-12/h1-10H,11H2,(H3,18,19,20,21,22).
What are the key properties of 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 345.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-6-[(5-phenyltetrazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17448744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).