trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

C12H10Cl2N4O — CID 95621020

IUPACtrans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ncn[nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N4O/c13-9-3-1-2-6(10(9)14)7-4-8(7)11(19)17-12-15-5-16-18-12/h1-3,5,7-8H,4H2,(H2,15,16,17,18,19)/t7-,8+/m1/s1
InChIKeyCKRLVYSPYDDQOP-SFYZADRCSA-N
MW297.15 g/mol
LogP2.85
Rot. Bonds3

About trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 95621020) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
PubChem CID95621020
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Nametrans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ncn[nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N4O/c13-9-3-1-2-6(10(9)14)7-4-8(7)11(19)17-12-15-5-16-18-12/h1-3,5,7-8H,4H2,(H2,15,16,17,18,19)/t7-,8+/m1/s1
InChIKeyCKRLVYSPYDDQOP-SFYZADRCSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-2-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 95283834
2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119386183
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704676
(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238549
2-[3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 124570042
2-(2,3-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide
CID 120650745
2-(2,3-dichlorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120599119
trans-(1S,2S)-2-(2,6-difluorophenyl)-N'-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carbohydrazide
CID 124882455
2-(2,3-dichlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]cyclopropane-1-carboxamide
CID 111661170
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55976564
cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 95621010
N-[1-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 119565151

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (CID 95621020) is trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ncn[nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl.
What is the InChIKey of trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is CKRLVYSPYDDQOP-SFYZADRCSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c13-9-3-1-2-6(10(9)14)7-4-8(7)11(19)17-12-15-5-16-18-12/h1-3,5,7-8H,4H2,(H2,15,16,17,18,19)/t7-,8+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2,3-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95621020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).