cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

C12H11BrN4O — CID 95283834

IUPACcis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ncn[nH]1)[C@H]1C[C@H]1c1ccccc1Br
InChIInChI=1S/C12H11BrN4O/c13-10-4-2-1-3-7(10)8-5-9(8)11(18)16-12-14-6-15-17-12/h1-4,6,8-9H,5H2,(H2,14,15,16,17,18)/t8-,9-/m0/s1
InChIKeyCNWXWOWSDDHFFN-IUCAKERBSA-N
MW307.15 g/mol
LogP2.31
Rot. Bonds3

About cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 95283834) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
PubChem CID95283834
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Namecis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ncn[nH]1)[C@H]1C[C@H]1c1ccccc1Br
InChIInChI=1S/C12H11BrN4O/c13-10-4-2-1-3-7(10)8-5-9(8)11(18)16-12-14-6-15-17-12/h1-4,6,8-9H,5H2,(H2,14,15,16,17,18)/t8-,9-/m0/s1
InChIKeyCNWXWOWSDDHFFN-IUCAKERBSA-N
XLogP2.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 95621020
cis-(1S,2R)-2-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropane-1-carboxamide
CID 97014110
methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate
CID 85264672
3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 106547869
trans-(1S,2S)-2-(2,6-difluorophenyl)-N'-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carbohydrazide
CID 124882455
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 47390330
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55976564
N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 45116189
trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate
CID 132553582
2-oxo-N-(1H-1,2,4-triazol-5-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxamide
CID 74611271
N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 130628578
(1R,2R,4R)-4-bromo-2-(2-bromophenyl)-5-oxocyclohexane-1-carboxylic acid
CID 69268161

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (CID 95283834) is cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ncn[nH]1)[C@H]1C[C@H]1c1ccccc1Br.
What is the InChIKey of cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is CNWXWOWSDDHFFN-IUCAKERBSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-10-4-2-1-3-7(10)8-5-9(8)11(18)16-12-14-6-15-17-12/h1-4,6,8-9H,5H2,(H2,14,15,16,17,18)/t8-,9-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95283834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).