N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide

C10H12N4O2 — CID 164635452

IUPACN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)c1ncnn1C
InChIInChI=1S/C10H12N4O2/c1-7(9-11-6-12-14(9)2)13-10(15)8-3-4-16-5-8/h3-7H,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyINIDPCOXNPAWJN-ZETCQYMHSA-N
MW220.23 g/mol
LogP0.90
Rot. Bonds3

About N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide (PubChem CID 164635452) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide
PubChem CID164635452
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)c1ncnn1C
InChIInChI=1S/C10H12N4O2/c1-7(9-11-6-12-14(9)2)13-10(15)8-3-4-16-5-8/h3-7H,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyINIDPCOXNPAWJN-ZETCQYMHSA-N
XLogP0.90
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide (CID 164635452) is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)c1ncnn1C.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide?
The InChIKey is INIDPCOXNPAWJN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7(9-11-6-12-14(9)2)13-10(15)8-3-4-16-5-8/h3-7H,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide?
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 164635452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).