5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol

C17H15N7O2 — CID 162646142

IUPAC5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
SMILESNc1nc(NCc2ccccc2)nc2nc(-c3cc(O)cc(O)c3)nn12
InChIInChI=1S/C17H15N7O2/c18-15-21-16(19-9-10-4-2-1-3-5-10)22-17-20-14(23-24(15)17)11-6-12(25)8-13(26)7-11/h1-8,25-26H,9H2,(H3,18,19,20,21,22,23)
InChIKeyBDZLJIIBZDDHSI-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.79
Rot. Bonds4

About 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol

5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol (PubChem CID 162646142) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
PubChem CID162646142
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
SMILESNc1nc(NCc2ccccc2)nc2nc(-c3cc(O)cc(O)c3)nn12
InChIInChI=1S/C17H15N7O2/c18-15-21-16(19-9-10-4-2-1-3-5-10)22-17-20-14(23-24(15)17)11-6-12(25)8-13(26)7-11/h1-8,25-26H,9H2,(H3,18,19,20,21,22,23)
InChIKeyBDZLJIIBZDDHSI-UHFFFAOYSA-N
XLogP1.79
TPSA134.48 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

5-[7-Amino-5-[(3-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162648706
3-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
CID 162658541
5-[7-Amino-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162664605
5-[7-Amino-5-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162665487
4-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,2-diol
CID 162666443
5-[7-Amino-5-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162671970
5-[5-Amino-7-(benzylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol
CID 162672425
3-[7-Amino-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-5-methoxyphenol
CID 162646304
4-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
CID 162665687
5-N,7-N-dibenzyl-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 162644766
5-N-benzyl-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 162648149
2-(3,5-dimethoxyphenyl)-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 162655878

Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol?
The IUPAC name of 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol (CID 162646142) is 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol?
The canonical SMILES for 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol is Nc1nc(NCc2ccccc2)nc2nc(-c3cc(O)cc(O)c3)nn12.
What is the InChIKey of 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol?
The InChIKey is BDZLJIIBZDDHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c18-15-21-16(19-9-10-4-2-1-3-5-10)22-17-20-14(23-24(15)17)11-6-12(25)8-13(26)7-11/h1-8,25-26H,9H2,(H3,18,19,20,21,22,23).
What are the key properties of 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol?
5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol has a molecular weight of 349.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 162646142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).