N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide

C13H14N6O — CID 62906671

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2cn[nH]c2c1)c1nncn1C
InChIInChI=1S/C13H14N6O/c1-8(12-18-15-7-19(12)2)16-13(20)9-3-4-10-6-14-17-11(10)5-9/h3-8H,1-2H3,(H,14,17)(H,16,20)
InChIKeyDIINCFUXALHEGS-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.18
Rot. Bonds3

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide (PubChem CID 62906671) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
PubChem CID62906671
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2cn[nH]c2c1)c1nncn1C
InChIInChI=1S/C13H14N6O/c1-8(12-18-15-7-19(12)2)16-13(20)9-3-4-10-6-14-17-11(10)5-9/h3-8H,1-2H3,(H,14,17)(H,16,20)
InChIKeyDIINCFUXALHEGS-UHFFFAOYSA-N
XLogP1.18
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 63330822
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
N-[1-(2-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715178
4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 51093781
N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715179
4-(bromomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 102851127
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
CID 47403301
4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 90648440
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 131947877

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide (CID 62906671) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide is CC(NC(=O)c1ccc2cn[nH]c2c1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide?
The InChIKey is DIINCFUXALHEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8(12-18-15-7-19(12)2)16-13(20)9-3-4-10-6-14-17-11(10)5-9/h3-8H,1-2H3,(H,14,17)(H,16,20).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 62906671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).