N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C12H9Cl2N5O2 — CID 2986969

IUPACN-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)ccc2Cl)n2ncnc2N1
InChIInChI=1S/C12H9Cl2N5O2/c13-6-1-2-7(14)8(3-6)17-11(21)9-4-10(20)18-12-15-5-16-19(9)12/h1-3,5,9H,4H2,(H,17,21)(H,15,16,18,20)
InChIKeyHDMJZPKXNDEOKB-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.11
Rot. Bonds2

About N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 2986969) has the molecular formula C12H9Cl2N5O2 and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID2986969
Molecular FormulaC12H9Cl2N5O2
Molecular Weight326.14 g/mol
Exact Mass325.01
IUPAC NameN-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)ccc2Cl)n2ncnc2N1
InChIInChI=1S/C12H9Cl2N5O2/c13-6-1-2-7(14)8(3-6)17-11(21)9-4-10(20)18-12-15-5-16-19(9)12/h1-3,5,9H,4H2,(H,17,21)(H,15,16,18,20)
InChIKeyHDMJZPKXNDEOKB-UHFFFAOYSA-N
XLogP2.11
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 2986969) is N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is O=C1CC(C(=O)Nc2cc(Cl)ccc2Cl)n2ncnc2N1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is HDMJZPKXNDEOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5O2/c13-6-1-2-7(14)8(3-6)17-11(21)9-4-10(20)18-12-15-5-16-19(9)12/h1-3,5,9H,4H2,(H,17,21)(H,15,16,18,20).
What are the key properties of N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 326.14 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 2986969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).