8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C18H24N6O2 — CID 164575113

IUPAC8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOC[C@H](N)CCCOc1ccccc1Cc1cnn2c(N)ncnc12
InChIInChI=1S/C18H24N6O2/c1-25-11-15(19)6-4-8-26-16-7-3-2-5-13(16)9-14-10-23-24-17(14)21-12-22-18(24)20/h2-3,5,7,10,12,15H,4,6,8-9,11,19H2,1H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyRSFMBHXELDMQLU-OAHLLOKOSA-N
MW356.43 g/mol
LogP1.43
Rot. Bonds9

About 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 164575113) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID164575113
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOC[C@H](N)CCCOc1ccccc1Cc1cnn2c(N)ncnc12
InChIInChI=1S/C18H24N6O2/c1-25-11-15(19)6-4-8-26-16-7-3-2-5-13(16)9-14-10-23-24-17(14)21-12-22-18(24)20/h2-3,5,7,10,12,15H,4,6,8-9,11,19H2,1H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyRSFMBHXELDMQLU-OAHLLOKOSA-N
XLogP1.43
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 164575113) is 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is COC[C@H](N)CCCOc1ccccc1Cc1cnn2c(N)ncnc12.
What is the InChIKey of 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is RSFMBHXELDMQLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-25-11-15(19)6-4-8-26-16-7-3-2-5-13(16)9-14-10-23-24-17(14)21-12-22-18(24)20/h2-3,5,7,10,12,15H,4,6,8-9,11,19H2,1H3,(H2,20,21,22)/t15-/m1/s1.
What are the key properties of 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-[(4R)-4-amino-5-methoxypentoxy]phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 164575113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).