N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide

C12H10ClN5O2 — CID 6460415

IUPACN-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESCc1nc2nc(NC(=O)c3ccco3)nn2c(C)c1Cl
InChIInChI=1S/C12H10ClN5O2/c1-6-9(13)7(2)18-12(14-6)16-11(17-18)15-10(19)8-4-3-5-20-8/h3-5H,1-2H3,(H,15,17,19)
InChIKeyYCZSNMXALFMDJC-UHFFFAOYSA-N
MW291.70 g/mol
LogP2.24
Rot. Bonds2

About N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide

N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (PubChem CID 6460415) has the molecular formula C12H10ClN5O2 and a molecular weight of 291.70 g/mol. Its IUPAC name is N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
PubChem CID6460415
Molecular FormulaC12H10ClN5O2
Molecular Weight291.70 g/mol
Exact Mass291.05
IUPAC NameN-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESCc1nc2nc(NC(=O)c3ccco3)nn2c(C)c1Cl
InChIInChI=1S/C12H10ClN5O2/c1-6-9(13)7(2)18-12(14-6)16-11(17-18)15-10(19)8-4-3-5-20-8/h3-5H,1-2H3,(H,15,17,19)
InChIKeyYCZSNMXALFMDJC-UHFFFAOYSA-N
XLogP2.24
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (CID 6460415) is N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is Cc1nc2nc(NC(=O)c3ccco3)nn2c(C)c1Cl.
What is the InChIKey of N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The InChIKey is YCZSNMXALFMDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2/c1-6-9(13)7(2)18-12(14-6)16-11(17-18)15-10(19)8-4-3-5-20-8/h3-5H,1-2H3,(H,15,17,19).
What are the key properties of N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide has a molecular weight of 291.70 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 6460415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).