N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C18H18N6O — CID 167157747

IUPACN-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1
InChIInChI=1S/C18H18N6O/c1-3-25-15-7-4-12(5-8-15)17-21-18(24(2)23-17)20-14-6-9-16-13(10-14)11-19-22-16/h4-11H,3H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyMMNGWSRRSFIXAJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.50
Rot. Bonds5

About N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine

N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 167157747) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID167157747
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1
InChIInChI=1S/C18H18N6O/c1-3-25-15-7-4-12(5-8-15)17-21-18(24(2)23-17)20-14-6-9-16-13(10-14)11-19-22-16/h4-11H,3H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyMMNGWSRRSFIXAJ-UHFFFAOYSA-N
XLogP3.50
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 167157747) is N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is CCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)n(C)n2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is MMNGWSRRSFIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-3-25-15-7-4-12(5-8-15)17-21-18(24(2)23-17)20-14-6-9-16-13(10-14)11-19-22-16/h4-11H,3H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 334.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 167157747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).