3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide

C27H24N8O — CID 142763268

IUPAC3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1
InChIInChI=1S/C27H24N8O/c36-27(28-13-6-14-34-24-10-5-4-9-21(24)17-30-34)26-25(20-11-12-23-22(15-20)16-29-31-23)32-33-35(26)18-19-7-2-1-3-8-19/h1-5,7-12,15-17H,6,13-14,18H2,(H,28,36)(H,29,31)
InChIKeyHMYWVSANHNNQCS-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.04
Rot. Bonds8

About 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide

3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide (PubChem CID 142763268) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide
PubChem CID142763268
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC Name3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1
InChIInChI=1S/C27H24N8O/c36-27(28-13-6-14-34-24-10-5-4-9-21(24)17-30-34)26-25(20-11-12-23-22(15-20)16-29-31-23)32-33-35(26)18-19-7-2-1-3-8-19/h1-5,7-12,15-17H,6,13-14,18H2,(H,28,36)(H,29,31)
InChIKeyHMYWVSANHNNQCS-UHFFFAOYSA-N
XLogP4.04
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 71259491
CID 71259491
CID 71259555
CID 71259555
CID 71267243
CID 71267243
CID 3722581
CID 3722581
CID 25164676
CID 25164676
CID 71259641
CID 71259641
CID 139431440
CID 139431440
CID 44577740
CID 44577740
CID 44577793
CID 44577793
CID 71259557
CID 71259557
CID 71259597
CID 71259597
CID 71259783
CID 71259783

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide?
The IUPAC name of 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide (CID 142763268) is 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide?
The canonical SMILES for 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide is O=C(NCCCn1ncc2ccccc21)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide?
The InChIKey is HMYWVSANHNNQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c36-27(28-13-6-14-34-24-10-5-4-9-21(24)17-30-34)26-25(20-11-12-23-22(15-20)16-29-31-23)32-33-35(26)18-19-7-2-1-3-8-19/h1-5,7-12,15-17H,6,13-14,18H2,(H,28,36)(H,29,31).
What are the key properties of 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide?
3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(1H-indazol-5-yl)-N-(3-indazol-1-ylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 142763268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).