2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C20H20N6O — CID 142684370

IUPAC2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESCCCCc1c(C(N)=O)cccc1-c1n[nH]c2ccc(-c3ncn[nH]3)cc12
InChIInChI=1S/C20H20N6O/c1-2-3-5-13-14(6-4-7-15(13)19(21)27)18-16-10-12(20-22-11-23-26-20)8-9-17(16)24-25-18/h4,6-11H,2-3,5H2,1H3,(H2,21,27)(H,24,25)(H,22,23,26)
InChIKeySMCKOKZUEYNYCF-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.46
Rot. Bonds6

About 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 142684370) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID142684370
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESCCCCc1c(C(N)=O)cccc1-c1n[nH]c2ccc(-c3ncn[nH]3)cc12
InChIInChI=1S/C20H20N6O/c1-2-3-5-13-14(6-4-7-15(13)19(21)27)18-16-10-12(20-22-11-23-26-20)8-9-17(16)24-25-18/h4,6-11H,2-3,5H2,1H3,(H2,21,27)(H,24,25)(H,22,23,26)
InChIKeySMCKOKZUEYNYCF-UHFFFAOYSA-N
XLogP3.46
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479813
3-(3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 21092512
3-(3-propoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 91128482
1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
CID 11187101
3-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 142662883
N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 20789123
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 11408133
N,N-dimethyl-2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine
CID 22479784
4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
CID 22479828
3-[3-[(cyclopropylamino)methyl]-2-fluorophenyl]-1H-indazole-5-carboxamide;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine
CID 157152862
5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 123518046
3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 11451717

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 142684370) is 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is CCCCc1c(C(N)=O)cccc1-c1n[nH]c2ccc(-c3ncn[nH]3)cc12.
What is the InChIKey of 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is SMCKOKZUEYNYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-2-3-5-13-14(6-4-7-15(13)19(21)27)18-16-10-12(20-22-11-23-26-20)8-9-17(16)24-25-18/h4,6-11H,2-3,5H2,1H3,(H2,21,27)(H,24,25)(H,22,23,26).
What are the key properties of 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 360.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 142684370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).