2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide

C16H19N7O2 — CID 112526816

IUPAC2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide
SMILESCc1cc2cccc(NC(=O)Cn3ncc(NC(=O)N(C)C)n3)c2[nH]1
InChIInChI=1S/C16H19N7O2/c1-10-7-11-5-4-6-12(15(11)18-10)19-14(24)9-23-17-8-13(21-23)20-16(25)22(2)3/h4-8,18H,9H2,1-3H3,(H,19,24)(H,20,21,25)
InChIKeySXXKZALSXPPEFN-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.80
Rot. Bonds4

About 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide

2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide (PubChem CID 112526816) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide
PubChem CID112526816
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide
SMILESCc1cc2cccc(NC(=O)Cn3ncc(NC(=O)N(C)C)n3)c2[nH]1
InChIInChI=1S/C16H19N7O2/c1-10-7-11-5-4-6-12(15(11)18-10)19-14(24)9-23-17-8-13(21-23)20-16(25)22(2)3/h4-8,18H,9H2,1-3H3,(H,19,24)(H,20,21,25)
InChIKeySXXKZALSXPPEFN-UHFFFAOYSA-N
XLogP1.80
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-4-yl)acetamide
CID 112526516
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522692
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112528053
N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112523975
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112521261
N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112520099
methyl N-[2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112520625
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522586
ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526366
3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
CID 112532228
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112521419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide (CID 112526816) is 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide is Cc1cc2cccc(NC(=O)Cn3ncc(NC(=O)N(C)C)n3)c2[nH]1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide?
The InChIKey is SXXKZALSXPPEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-10-7-11-5-4-6-12(15(11)18-10)19-14(24)9-23-17-8-13(21-23)20-16(25)22(2)3/h4-8,18H,9H2,1-3H3,(H,19,24)(H,20,21,25).
What are the key properties of 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide?
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide has a molecular weight of 341.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide is sourced from PubChem (CID 112526816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).