5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide

C11H11N5O3 — CID 110484924

IUPAC5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H11N5O3/c12-10-9(14-16-15-10)11(17)13-6-1-2-7-8(5-6)19-4-3-18-7/h1-2,5H,3-4H2,(H,13,17)(H3,12,14,15,16)
InChIKeyOZYMCYVDDCLASM-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.41
Rot. Bonds2

About 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide

5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide (PubChem CID 110484924) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
PubChem CID110484924
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H11N5O3/c12-10-9(14-16-15-10)11(17)13-6-1-2-7-8(5-6)19-4-3-18-7/h1-2,5H,3-4H2,(H,13,17)(H3,12,14,15,16)
InChIKeyOZYMCYVDDCLASM-UHFFFAOYSA-N
XLogP0.41
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 30136975
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807876
4-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080864
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
4-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 46268573
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80619134
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-2-carboxamide
CID 104740829
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585407
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
3-amino-4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 61095483
5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 28723038
2-(4-aminophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24689811

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide (CID 110484924) is 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide is Nc1n[nH]nc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide?
The InChIKey is OZYMCYVDDCLASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-10-9(14-16-15-10)11(17)13-6-1-2-7-8(5-6)19-4-3-18-7/h1-2,5H,3-4H2,(H,13,17)(H3,12,14,15,16).
What are the key properties of 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide?
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).