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

C13H14N6O — CID 63330822

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
SMILESCn1cnnc1CCNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H14N6O/c1-19-8-16-18-12(19)4-5-14-13(20)9-2-3-10-7-15-17-11(10)6-9/h2-3,6-8H,4-5H2,1H3,(H,14,20)(H,15,17)
InChIKeyZSZZDSFCCZRBDL-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.66
Rot. Bonds4

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide (PubChem CID 63330822) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
PubChem CID63330822
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
SMILESCn1cnnc1CCNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H14N6O/c1-19-8-16-18-12(19)4-5-14-13(20)9-2-3-10-7-15-17-11(10)6-9/h2-3,6-8H,4-5H2,1H3,(H,14,20)(H,15,17)
InChIKeyZSZZDSFCCZRBDL-UHFFFAOYSA-N
XLogP0.66
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 103956948
4-bromo-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 103872993
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 62906671
2,6-dichloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 63330503
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 63330474
4-(chloromethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63330313
5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331300
6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 63330662
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 63362646
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide (CID 63330822) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide is Cn1cnnc1CCNC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide?
The InChIKey is ZSZZDSFCCZRBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-19-8-16-18-12(19)4-5-14-13(20)9-2-3-10-7-15-17-11(10)6-9/h2-3,6-8H,4-5H2,1H3,(H,14,20)(H,15,17).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 63330822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).