N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide

C12H11ClN4O — CID 24687527

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)C1CC1
InChIInChI=1S/C12H11ClN4O/c13-9-3-4-11(17-7-14-6-15-17)10(5-9)16-12(18)8-1-2-8/h3-8H,1-2H2,(H,16,18)
InChIKeyORUCXQHGKDZYOI-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.27
Rot. Bonds3

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide (PubChem CID 24687527) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide
PubChem CID24687527
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)C1CC1
InChIInChI=1S/C12H11ClN4O/c13-9-3-4-11(17-7-14-6-15-17)10(5-9)16-12(18)8-1-2-8/h3-8H,1-2H2,(H,16,18)
InChIKeyORUCXQHGKDZYOI-UHFFFAOYSA-N
XLogP2.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide (CID 24687527) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)C1CC1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is ORUCXQHGKDZYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c13-9-3-4-11(17-7-14-6-15-17)10(5-9)16-12(18)8-1-2-8/h3-8H,1-2H2,(H,16,18).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24687527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).