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

C13H14N6O — CID 63362646

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide
SMILESCn1cnnc1CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H14N6O/c1-19-8-15-17-11(19)6-7-14-13(20)12-9-4-2-3-5-10(9)16-18-12/h2-5,8H,6-7H2,1H3,(H,14,20)(H,16,18)
InChIKeyZLINOQLSAYGSAI-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.66
Rot. Bonds4

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide (PubChem CID 63362646) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide
PubChem CID63362646
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide
SMILESCn1cnnc1CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H14N6O/c1-19-8-15-17-11(19)6-7-14-13(20)12-9-4-2-3-5-10(9)16-18-12/h2-5,8H,6-7H2,1H3,(H,14,20)(H,16,18)
InChIKeyZLINOQLSAYGSAI-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

N-[2-(1-methylimidazol-2-yl)ethyl]-1H-indazole-3-carboxamide
CID 62040532
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 63330822
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331341
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[2-(3-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397516
N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
CID 60598282
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide (CID 63362646) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide is Cn1cnnc1CCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is ZLINOQLSAYGSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-19-8-15-17-11(19)6-7-14-13(20)12-9-4-2-3-5-10(9)16-18-12/h2-5,8H,6-7H2,1H3,(H,14,20)(H,16,18).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-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-3-carboxamide is sourced from PubChem (CID 63362646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).