N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H11N5O3 — CID 19583672

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1nc2ncccn2n1
InChIInChI=1S/C14H11N5O3/c20-13(12-17-14-15-4-1-5-19(14)18-12)16-9-2-3-10-11(8-9)22-7-6-21-10/h1-5,8H,6-7H2,(H,16,20)
InChIKeyCGQRPROOBXNPJQ-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.15
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19583672) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19583672
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1nc2ncccn2n1
InChIInChI=1S/C14H11N5O3/c20-13(12-17-14-15-4-1-5-19(14)18-12)16-9-2-3-10-11(8-9)22-7-6-21-10/h1-5,8H,6-7H2,(H,16,20)
InChIKeyCGQRPROOBXNPJQ-UHFFFAOYSA-N
XLogP1.15
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821873
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 20930304
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824683
N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824639
N-(2,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169206
2-[5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50980083
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)tetrazole-5-carboxamide
CID 71791342
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 30136975
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 19583672) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1nc2ncccn2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CGQRPROOBXNPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c20-13(12-17-14-15-4-1-5-19(14)18-12)16-9-2-3-10-11(8-9)22-7-6-21-10/h1-5,8H,6-7H2,(H,16,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19583672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).