7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C19H17N5O3 — CID 70307879

IUPAC7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESC=Cc1ccc2c(c1C)CCC2NC(=O)c1cc(C(=O)O)nc2ncnn12
InChIInChI=1S/C19H17N5O3/c1-3-11-4-5-13-12(10(11)2)6-7-14(13)22-17(25)16-8-15(18(26)27)23-19-20-9-21-24(16)19/h3-5,8-9,14H,1,6-7H2,2H3,(H,22,25)(H,26,27)
InChIKeyQWLULVSPZYRNJY-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.19
Rot. Bonds4

About 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 70307879) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID70307879
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESC=Cc1ccc2c(c1C)CCC2NC(=O)c1cc(C(=O)O)nc2ncnn12
InChIInChI=1S/C19H17N5O3/c1-3-11-4-5-13-12(10(11)2)6-7-14(13)22-17(25)16-8-15(18(26)27)23-19-20-9-21-24(16)19/h3-5,8-9,14H,1,6-7H2,2H3,(H,22,25)(H,26,27)
InChIKeyQWLULVSPZYRNJY-UHFFFAOYSA-N
XLogP2.19
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 70307879) is 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is C=Cc1ccc2c(c1C)CCC2NC(=O)c1cc(C(=O)O)nc2ncnn12.
What is the InChIKey of 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is QWLULVSPZYRNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-3-11-4-5-13-12(10(11)2)6-7-14(13)22-17(25)16-8-15(18(26)27)23-19-20-9-21-24(16)19/h3-5,8-9,14H,1,6-7H2,2H3,(H,22,25)(H,26,27).
What are the key properties of 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 363.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-ethenyl-4-methyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 70307879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).