2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide

C14H14N4O — CID 82381300

IUPAC2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide
SMILESNC(=O)Cc1ncc(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C14H14N4O/c15-13(19)7-14-16-8-12(17-18-14)11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H2,15,19)
InChIKeyDPFTVFINJOKHNN-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.06
Rot. Bonds3

About 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide

2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide (PubChem CID 82381300) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide
PubChem CID82381300
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide
SMILESNC(=O)Cc1ncc(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C14H14N4O/c15-13(19)7-14-16-8-12(17-18-14)11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H2,15,19)
InChIKeyDPFTVFINJOKHNN-UHFFFAOYSA-N
XLogP1.06
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
[6-(2,3-dihydro-1H-inden-5-yl)pyridazin-3-yl]methanamine
CID 82287618
6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid
CID 82381465
2-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypyridine-4-carboxylic acid
CID 116864741
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid
CID 116852061
2-(2,3-dihydro-1H-inden-5-yl)pyrazine
CID 141313830
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323
1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone
CID 116880631
2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
CID 82049589
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
CID 82167208

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide?
The IUPAC name of 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide (CID 82381300) is 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide.
What is the SMILES notation for 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide?
The canonical SMILES for 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide is NC(=O)Cc1ncc(-c2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide?
The InChIKey is DPFTVFINJOKHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-13(19)7-14-16-8-12(17-18-14)11-5-4-9-2-1-3-10(9)6-11/h4-6,8H,1-3,7H2,(H2,15,19).
What are the key properties of 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide?
2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide has a molecular weight of 254.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide is sourced from PubChem (CID 82381300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).