N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C12H14N4O3 — CID 138017395

IUPACN-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)N[C@@H]2C[C@H]2c2ccco2)c1=O
InChIInChI=1S/C12H14N4O3/c1-15-7-13-16(12(15)18)6-11(17)14-9-5-8(9)10-3-2-4-19-10/h2-4,7-9H,5-6H2,1H3,(H,14,17)/t8-,9-/m1/s1
InChIKeyYMIZTBBIEYCVNZ-RKDXNWHRSA-N
MW262.27 g/mol
LogP-0.15
Rot. Bonds4

About N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 138017395) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID138017395
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)N[C@@H]2C[C@H]2c2ccco2)c1=O
InChIInChI=1S/C12H14N4O3/c1-15-7-13-16(12(15)18)6-11(17)14-9-5-8(9)10-3-2-4-19-10/h2-4,7-9H,5-6H2,1H3,(H,14,17)/t8-,9-/m1/s1
InChIKeyYMIZTBBIEYCVNZ-RKDXNWHRSA-N
XLogP-0.15
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide with MolForge

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Related Compounds

2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-spiro[2.5]octan-2-ylacetamide
CID 127772971
1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 167838856
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide
CID 136567255
(2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 138010502
N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115885261
N-(2-cyanoethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 116626783
trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97012787
1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 138019543
N-[(3-cyclohexyloxyphenyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 86783847
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977
cis-(1R,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 97075153

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 138017395) is N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)N[C@@H]2C[C@H]2c2ccco2)c1=O.
What is the InChIKey of N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is YMIZTBBIEYCVNZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-15-7-13-16(12(15)18)6-11(17)14-9-5-8(9)10-3-2-4-19-10/h2-4,7-9H,5-6H2,1H3,(H,14,17)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 262.27 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 138017395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).