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

C11H8ClN5O3 — CID 6501325

IUPACN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESCc1nc2nc(NC(=O)c3ccco3)[nH]n2c(=O)c1Cl
InChIInChI=1S/C11H8ClN5O3/c1-5-7(12)9(19)17-11(13-5)15-10(16-17)14-8(18)6-3-2-4-20-6/h2-4H,1H3,(H2,13,14,15,16,18)
InChIKeyBBOFWHCEVGYRON-UHFFFAOYSA-N
MW293.67 g/mol
LogP1.22
Rot. Bonds2

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

N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (PubChem CID 6501325) has the molecular formula C11H8ClN5O3 and a molecular weight of 293.67 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
PubChem CID6501325
Molecular FormulaC11H8ClN5O3
Molecular Weight293.67 g/mol
Exact Mass293.03
IUPAC NameN-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESCc1nc2nc(NC(=O)c3ccco3)[nH]n2c(=O)c1Cl
InChIInChI=1S/C11H8ClN5O3/c1-5-7(12)9(19)17-11(13-5)15-10(16-17)14-8(18)6-3-2-4-20-6/h2-4H,1H3,(H2,13,14,15,16,18)
InChIKeyBBOFWHCEVGYRON-UHFFFAOYSA-N
XLogP1.22
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-hydroxy-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
CID 17581881
Furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone
CID 663880
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
CID 6485810
2-furyl-N-[2,2,2-trichloro-1-(4-methyl-6-oxohydropyrimidinyl)ethyl]carboxamide
CID 3090176
2-Furan-2-yl-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 707969
2-(2-furyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1265958
2-(Furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 2038794
2-amino-5-chloro-4-(2-furyl)-1H-pyrimidin-6-one
CID 135435164
US10975084, Example 8-24
CID 17355042
N-[(4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carboxamide
CID 676921
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)furan-2-carbohydrazide
CID 385150
N-{7-Hydroxy-5-phenyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}furan-2-carboxamide
CID 929988

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (CID 6501325) is N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is Cc1nc2nc(NC(=O)c3ccco3)[nH]n2c(=O)c1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The InChIKey is BBOFWHCEVGYRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O3/c1-5-7(12)9(19)17-11(13-5)15-10(16-17)14-8(18)6-3-2-4-20-6/h2-4H,1H3,(H2,13,14,15,16,18).
What are the key properties of N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide has a molecular weight of 293.67 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 6501325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).