trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide

C13H14N4O2 — CID 138027191

IUPACtrans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@H]2C(=O)Nc2cn[nH]n2)cc1
InChIInChI=1S/C13H14N4O2/c1-19-9-4-2-8(3-5-9)10-6-11(10)13(18)15-12-7-14-17-16-12/h2-5,7,10-11H,6H2,1H3,(H2,14,15,16,17,18)/t10-,11+/m0/s1
InChIKeyOGBJNOFRKPRVGO-WDEREUQCSA-N
MW258.28 g/mol
LogP1.56
Rot. Bonds4

About trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 138027191) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
PubChem CID138027191
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Nametrans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@H]2C(=O)Nc2cn[nH]n2)cc1
InChIInChI=1S/C13H14N4O2/c1-19-9-4-2-8(3-5-9)10-6-11(10)13(18)15-12-7-14-17-16-12/h2-5,7,10-11H,6H2,1H3,(H2,14,15,16,17,18)/t10-,11+/m0/s1
InChIKeyOGBJNOFRKPRVGO-WDEREUQCSA-N
XLogP1.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
CID 167958471
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84563569
N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569199
trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95302740
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 999032
N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide
CID 84569140
2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 110889438
trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 154866052
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide (CID 138027191) is trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide is COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cn[nH]n2)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is OGBJNOFRKPRVGO-WDEREUQCSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-19-9-4-2-8(3-5-9)10-6-11(10)13(18)15-12-7-14-17-16-12/h2-5,7,10-11H,6H2,1H3,(H2,14,15,16,17,18)/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138027191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).