N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide

C15H16N6O3 — CID 75433748

IUPACN-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
SMILESCN(CCn1cnnc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H16N6O3/c1-19(4-5-20-9-17-18-10-20)15(22)6-11-8-16-14-3-2-12(21(23)24)7-13(11)14/h2-3,7-10,16H,4-6H2,1H3
InChIKeyJCHSUTSHRSVQOY-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.37
Rot. Bonds6

About N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide

N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide (PubChem CID 75433748) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
PubChem CID75433748
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC NameN-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
SMILESCN(CCn1cnnc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H16N6O3/c1-19(4-5-20-9-17-18-10-20)15(22)6-11-8-16-14-3-2-12(21(23)24)7-13(11)14/h2-3,7-10,16H,4-6H2,1H3
InChIKeyJCHSUTSHRSVQOY-UHFFFAOYSA-N
XLogP1.37
TPSA109.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882
N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 51298232
1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide
CID 110000935
N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide
CID 110415872
2-(1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63208732
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110411692
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
3-(2-azidoethyl)-5-nitro-1H-indole
CID 123550245
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one
CID 62679540
2-[[2-(5-nitro-1H-indol-3-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548633

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide (CID 75433748) is N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide is CN(CCn1cnnc1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide?
The InChIKey is JCHSUTSHRSVQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-19(4-5-20-9-17-18-10-20)15(22)6-11-8-16-14-3-2-12(21(23)24)7-13(11)14/h2-3,7-10,16H,4-6H2,1H3.
What are the key properties of N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide?
N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide has a molecular weight of 328.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 75433748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).