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

C17H15N7O — CID 162665687

IUPAC4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
SMILESNc1nc(NCc2ccccc2)nc2nc(-c3ccc(O)cc3)nn12
InChIInChI=1S/C17H15N7O/c18-15-21-16(19-10-11-4-2-1-3-5-11)22-17-20-14(23-24(15)17)12-6-8-13(25)9-7-12/h1-9,25H,10H2,(H3,18,19,20,21,22,23)
InChIKeyJDWGDCIUZDKUGC-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.09
Rot. Bonds4

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

4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol (PubChem CID 162665687) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol.

Molecular Properties

Compound Name4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
PubChem CID162665687
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
SMILESNc1nc(NCc2ccccc2)nc2nc(-c3ccc(O)cc3)nn12
InChIInChI=1S/C17H15N7O/c18-15-21-16(19-10-11-4-2-1-3-5-11)22-17-20-14(23-24(15)17)12-6-8-13(25)9-7-12/h1-9,25H,10H2,(H3,18,19,20,21,22,23)
InChIKeyJDWGDCIUZDKUGC-UHFFFAOYSA-N
XLogP2.09
TPSA114.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol with MolForge

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Related Compounds

4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
5-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162646142
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
4-[2-[[7-Amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol
CID 155259564
4-(5-amino-1H-1,2,4-triazol-3-yl)phenol
CID 135629271
4-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899490
4-[2-[[4-(5-Aminopentylamino)-6-(4-fluorophenyl)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 46232025
4-[2-[[4-(5-Aminopentylamino)-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 46232026

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol?
The IUPAC name of 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol (CID 162665687) is 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol.
What is the SMILES notation for 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol?
The canonical SMILES for 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol is Nc1nc(NCc2ccccc2)nc2nc(-c3ccc(O)cc3)nn12.
What is the InChIKey of 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol?
The InChIKey is JDWGDCIUZDKUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c18-15-21-16(19-10-11-4-2-1-3-5-11)22-17-20-14(23-24(15)17)12-6-8-13(25)9-7-12/h1-9,25H,10H2,(H3,18,19,20,21,22,23).
What are the key properties of 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol?
4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol has a molecular weight of 333.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol is sourced from PubChem (CID 162665687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).