N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine

C22H22N6O — CID 68625783

IUPACN-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
SMILESCC(C)Oc1ccccc1-c1cnnc(NCc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C22H22N6O/c1-15(2)29-21-11-7-6-10-18(21)20-14-24-28-22(25-20)23-13-17-12-19(27-26-17)16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H,26,27)(H,23,25,28)
InChIKeyZIHNOAHVPOFZPJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.33
Rot. Bonds7

About N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine

N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 68625783) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
PubChem CID68625783
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
SMILESCC(C)Oc1ccccc1-c1cnnc(NCc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C22H22N6O/c1-15(2)29-21-11-7-6-10-18(21)20-14-24-28-22(25-20)23-13-17-12-19(27-26-17)16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H,26,27)(H,23,25,28)
InChIKeyZIHNOAHVPOFZPJ-UHFFFAOYSA-N
XLogP4.33
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine (CID 68625783) is N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine is CC(C)Oc1ccccc1-c1cnnc(NCc2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is ZIHNOAHVPOFZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15(2)29-21-11-7-6-10-18(21)20-14-24-28-22(25-20)23-13-17-12-19(27-26-17)16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H,26,27)(H,23,25,28).
What are the key properties of N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 386.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 68625783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).