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

C18H21N5O3 — CID 17462345

IUPACN-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C18H21N5O3/c1-5-25-13-7-8-15(26-6-2)14(10-13)20-17(24)16-21-18-19-11(3)9-12(4)23(18)22-16/h7-10H,5-6H2,1-4H3,(H,20,24)
InChIKeyASLCKPAJCKAHRJ-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.79
Rot. Bonds6

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

N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17462345) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID17462345
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C18H21N5O3/c1-5-25-13-7-8-15(26-6-2)14(10-13)20-17(24)16-21-18-19-11(3)9-12(4)23(18)22-16/h7-10H,5-6H2,1-4H3,(H,20,24)
InChIKeyASLCKPAJCKAHRJ-UHFFFAOYSA-N
XLogP2.79
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 17462345) is N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2nc3nc(C)cc(C)n3n2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ASLCKPAJCKAHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-5-25-13-7-8-15(26-6-2)14(10-13)20-17(24)16-21-18-19-11(3)9-12(4)23(18)22-16/h7-10H,5-6H2,1-4H3,(H,20,24).
What are the key properties of N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17462345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).