5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide

C14H16N6OS — CID 56722867

IUPAC5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCCSc3n[nH]c(C)n3)c2c1
InChIInChI=1S/C14H16N6OS/c1-8-3-4-11-10(7-8)12(19-18-11)13(21)15-5-6-22-14-16-9(2)17-20-14/h3-4,7H,5-6H2,1-2H3,(H,15,21)(H,18,19)(H,16,17,20)
InChIKeyAPTXHXMZFPOPBL-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.82
Rot. Bonds5

About 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide

5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide (PubChem CID 56722867) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide
PubChem CID56722867
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCCSc3n[nH]c(C)n3)c2c1
InChIInChI=1S/C14H16N6OS/c1-8-3-4-11-10(7-8)12(19-18-11)13(21)15-5-6-22-14-16-9(2)17-20-14/h3-4,7H,5-6H2,1-2H3,(H,15,21)(H,18,19)(H,16,17,20)
InChIKeyAPTXHXMZFPOPBL-UHFFFAOYSA-N
XLogP1.82
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide
CID 78858986
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N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
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N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide
CID 131944118
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N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide
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5-methyl-N-[2-(2-nitroanilino)ethyl]-1H-indazole-3-carboxamide
CID 78868152
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
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N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72894692
3-chloro-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-4-pyrrolidin-1-ylbenzamide
CID 91786646

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide (CID 56722867) is 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NCCSc3n[nH]c(C)n3)c2c1.
What is the InChIKey of 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide?
The InChIKey is APTXHXMZFPOPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-8-3-4-11-10(7-8)12(19-18-11)13(21)15-5-6-22-14-16-9(2)17-20-14/h3-4,7H,5-6H2,1-2H3,(H,15,21)(H,18,19)(H,16,17,20).
What are the key properties of 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide?
5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 56722867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).