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

C15H19N7O — CID 176912717

IUPAC4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol
SMILESCC(C)c1nc2nc(NCCc3ccc(O)cc3)nc(N)n2n1
InChIInChI=1S/C15H19N7O/c1-9(2)12-18-15-20-14(19-13(16)22(15)21-12)17-8-7-10-3-5-11(23)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyZZNTUWZNQFJPLG-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.59
Rot. Bonds5

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

4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol (PubChem CID 176912717) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol
PubChem CID176912717
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol
SMILESCC(C)c1nc2nc(NCCc3ccc(O)cc3)nc(N)n2n1
InChIInChI=1S/C15H19N7O/c1-9(2)12-18-15-20-14(19-13(16)22(15)21-12)17-8-7-10-3-5-11(23)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyZZNTUWZNQFJPLG-UHFFFAOYSA-N
XLogP1.59
TPSA114.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
CID 162658541
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-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
CID 162665687
3-[5,7-Bis(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
CID 162661830
3-[1-[(2-Propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]ethyl]phenol
CID 121545480
4-((5R,7R)-2-(methoxymethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
CID 136253201
4-(2-Amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-fluorophenol
CID 82557011
4-(2-Amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluorophenol
CID 82557078
4-(2-Amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
CID 82557145
4-(2-Amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
CID 82557279
4-(2-Amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
CID 82557347
4-(2-Amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluorophenol
CID 82557415

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol (CID 176912717) is 4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol is CC(C)c1nc2nc(NCCc3ccc(O)cc3)nc(N)n2n1.
What is the InChIKey of 4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol?
The InChIKey is ZZNTUWZNQFJPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-9(2)12-18-15-20-14(19-13(16)22(15)21-12)17-8-7-10-3-5-11(23)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol?
4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol has a molecular weight of 313.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(7-amino-2-propan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl]phenol is sourced from PubChem (CID 176912717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).