N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide

C16H15N5O3 — CID 18119003

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(CNC(=O)c1cnn(-c2ccccc2)n1)NCc1ccco1
InChIInChI=1S/C16H15N5O3/c22-15(17-9-13-7-4-8-24-13)11-18-16(23)14-10-19-21(20-14)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,17,22)(H,18,23)
InChIKeyGLTOHUYQXHVVDC-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.91
Rot. Bonds6

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide (PubChem CID 18119003) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide
PubChem CID18119003
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(CNC(=O)c1cnn(-c2ccccc2)n1)NCc1ccco1
InChIInChI=1S/C16H15N5O3/c22-15(17-9-13-7-4-8-24-13)11-18-16(23)14-10-19-21(20-14)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,17,22)(H,18,23)
InChIKeyGLTOHUYQXHVVDC-UHFFFAOYSA-N
XLogP0.91
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide (CID 18119003) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide is O=C(CNC(=O)c1cnn(-c2ccccc2)n1)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is GLTOHUYQXHVVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-15(17-9-13-7-4-8-24-13)11-18-16(23)14-10-19-21(20-14)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,17,22)(H,18,23).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 18119003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).