5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide

C13H14N4O4 — CID 169402542

IUPAC5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(OCC2OCCO2)c1
InChIInChI=1S/C13H14N4O4/c14-13(18)12-11(15-17-16-12)8-2-1-3-9(6-8)21-7-10-19-4-5-20-10/h1-3,6,10H,4-5,7H2,(H2,14,18)(H,15,16,17)
InChIKeyWHFAMWFYJOPZLR-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.32
Rot. Bonds5

About 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide

5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402542) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402542
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(OCC2OCCO2)c1
InChIInChI=1S/C13H14N4O4/c14-13(18)12-11(15-17-16-12)8-2-1-3-9(6-8)21-7-10-19-4-5-20-10/h1-3,6,10H,4-5,7H2,(H2,14,18)(H,15,16,17)
InChIKeyWHFAMWFYJOPZLR-UHFFFAOYSA-N
XLogP0.32
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109
5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403649
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402462
5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 169402380
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402978
5-[3-[(3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169404108
2-[3-(5-ethoxycarbonyl-2H-triazol-4-yl)phenoxy]acetic acid
CID 169400608
5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169403261
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402338
5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402724
ethyl 5-[3-(3-ethoxy-3-oxopropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400957

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide (CID 169402542) is 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cccc(OCC2OCCO2)c1.
What is the InChIKey of 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is WHFAMWFYJOPZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c14-13(18)12-11(15-17-16-12)8-2-1-3-9(6-8)21-7-10-19-4-5-20-10/h1-3,6,10H,4-5,7H2,(H2,14,18)(H,15,16,17).
What are the key properties of 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide?
5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).