3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

C18H17N5O — CID 91128482

IUPAC3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H17N5O/c1-2-8-24-14-5-3-4-12(9-14)17-15-10-13(18-19-11-20-23-18)6-7-16(15)21-22-17/h3-7,9-11H,2,8H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyNSOJEHPXJADDCZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.80
Rot. Bonds5

About 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 91128482) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID91128482
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H17N5O/c1-2-8-24-14-5-3-4-12(9-14)17-15-10-13(18-19-11-20-23-18)6-7-16(15)21-22-17/h3-7,9-11H,2,8H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyNSOJEHPXJADDCZ-UHFFFAOYSA-N
XLogP3.80
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cc-401
CID 10430360
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1-[(2R)-2-[3-(1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
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3-(1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 162649662
3-(3-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905262
{2-[4-(5-(1H-1,2,4-Triazol-5-YL)(1H-indazol-3-YL))phenoxy]ethyl}dimethylamine
CID 10315725
2-Methoxy-6-{5-[5-(Pyrrolidinylmethyl)(1H-1,2,4-Triazol-3-Yl)](1H-Indazol-3-Yl)}Naphthalene
CID 10410100
3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 11617071
1-(5-(1H-1,2,4-triazol-5-yl)(1H-indazol-3-yl))-3-(2-morpholin-4-ylethoxy)benzene
CID 11710858
({3-[3-(6-Methoxy(2-Naphthyl))(1H-Indazol-5-Yl)](1H-1,2,4-Triazol-5-Yl)}Methyl)Dimethylamine
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Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 91128482) is 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is CCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is NSOJEHPXJADDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-2-8-24-14-5-3-4-12(9-14)17-15-10-13(18-19-11-20-23-18)6-7-16(15)21-22-17/h3-7,9-11H,2,8H2,1H3,(H,21,22)(H,19,20,23).
What are the key properties of 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 319.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 91128482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).