N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H13N5O2 — CID 2238690

IUPACN-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3ccco3)nc2n1
InChIInChI=1S/C13H13N5O2/c1-8-6-9(2)18-13(15-8)16-11(17-18)12(19)14-7-10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyVOFNIOCBZLBWPE-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.26
Rot. Bonds3

About N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2238690) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2238690
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3ccco3)nc2n1
InChIInChI=1S/C13H13N5O2/c1-8-6-9(2)18-13(15-8)16-11(17-18)12(19)14-7-10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyVOFNIOCBZLBWPE-UHFFFAOYSA-N
XLogP1.26
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2238690) is N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCc3ccco3)nc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VOFNIOCBZLBWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-8-6-9(2)18-13(15-8)16-11(17-18)12(19)14-7-10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H,14,19).
What are the key properties of N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2238690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).