trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

C11H12N4O2 — CID 97075154

IUPACtrans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESCn1ncnc1NC(=O)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C11H12N4O2/c1-15-11(12-6-13-15)14-10(16)8-5-7(8)9-3-2-4-17-9/h2-4,6-8H,5H2,1H3,(H,12,13,14,16)/t7-,8-/m0/s1
InChIKeyTWWVCLVGARLOPJ-YUMQZZPRSA-N
MW232.24 g/mol
LogP1.15
Rot. Bonds3

About trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 97075154) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
PubChem CID97075154
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nametrans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESCn1ncnc1NC(=O)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C11H12N4O2/c1-15-11(12-6-13-15)14-10(16)8-5-7(8)9-3-2-4-17-9/h2-4,6-8H,5H2,1H3,(H,12,13,14,16)/t7-,8-/m0/s1
InChIKeyTWWVCLVGARLOPJ-YUMQZZPRSA-N
XLogP1.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (CID 97075154) is trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is Cn1ncnc1NC(=O)[C@H]1C[C@@H]1c1ccco1.
What is the InChIKey of trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is TWWVCLVGARLOPJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-11(12-6-13-15)14-10(16)8-5-7(8)9-3-2-4-17-9/h2-4,6-8H,5H2,1H3,(H,12,13,14,16)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97075154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).