N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H11N5O3 — CID 2438361

IUPACN-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ccc4c(c3)OCO4)nn12
InChIInChI=1S/C14H11N5O3/c1-8-4-5-15-14-17-12(18-19(8)14)13(20)16-9-2-3-10-11(6-9)22-7-21-10/h2-6H,7H2,1H3,(H,16,20)
InChIKeyPSCSEHGLXNXJPF-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.41
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2438361) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2438361
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ccc4c(c3)OCO4)nn12
InChIInChI=1S/C14H11N5O3/c1-8-4-5-15-14-17-12(18-19(8)14)13(20)16-9-2-3-10-11(6-9)22-7-21-10/h2-6H,7H2,1H3,(H,16,20)
InChIKeyPSCSEHGLXNXJPF-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2438361) is N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3ccc4c(c3)OCO4)nn12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PSCSEHGLXNXJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c1-8-4-5-15-14-17-12(18-19(8)14)13(20)16-9-2-3-10-11(6-9)22-7-21-10/h2-6H,7H2,1H3,(H,16,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2438361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).