N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide

C20H20N6O2 — CID 124636985

IUPACN-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide
SMILESCC[C@@H](O)CNC(=O)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C20H20N6O2/c1-2-15(27)11-21-20(28)13-7-9-14(10-8-13)26-12-18(23-25-26)19-16-5-3-4-6-17(16)22-24-19/h3-10,12,15,27H,2,11H2,1H3,(H,21,28)(H,22,24)/t15-/m1/s1
InChIKeySUENKQYHQLVYEO-OAHLLOKOSA-N
MW376.42 g/mol
LogP2.31
Rot. Bonds6

About N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide

N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide (PubChem CID 124636985) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide
PubChem CID124636985
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide
SMILESCC[C@@H](O)CNC(=O)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C20H20N6O2/c1-2-15(27)11-21-20(28)13-7-9-14(10-8-13)26-12-18(23-25-26)19-16-5-3-4-6-17(16)22-24-19/h3-10,12,15,27H,2,11H2,1H3,(H,21,28)(H,22,24)/t15-/m1/s1
InChIKeySUENKQYHQLVYEO-OAHLLOKOSA-N
XLogP2.31
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide?
The IUPAC name of N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide (CID 124636985) is N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide is CC[C@@H](O)CNC(=O)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide?
The InChIKey is SUENKQYHQLVYEO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-2-15(27)11-21-20(28)13-7-9-14(10-8-13)26-12-18(23-25-26)19-16-5-3-4-6-17(16)22-24-19/h3-10,12,15,27H,2,11H2,1H3,(H,21,28)(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide?
N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxybutyl]-4-[4-(1H-indazol-3-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 124636985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).