1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone

C14H13N5O2 — CID 2979709

IUPAC1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2cccnc2)nc1NCc1ccco1
InChIInChI=1S/C14H13N5O2/c1-10(20)19-14(16-9-12-5-3-7-21-12)17-13(18-19)11-4-2-6-15-8-11/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyGHKIKPQTSFGYHZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.21
Rot. Bonds4

About 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone

1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone (PubChem CID 2979709) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
PubChem CID2979709
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2cccnc2)nc1NCc1ccco1
InChIInChI=1S/C14H13N5O2/c1-10(20)19-14(16-9-12-5-3-7-21-12)17-13(18-19)11-4-2-6-15-8-11/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyGHKIKPQTSFGYHZ-UHFFFAOYSA-N
XLogP2.21
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone?
The IUPAC name of 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone (CID 2979709) is 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone?
The canonical SMILES for 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone is CC(=O)n1nc(-c2cccnc2)nc1NCc1ccco1.
What is the InChIKey of 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone?
The InChIKey is GHKIKPQTSFGYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-10(20)19-14(16-9-12-5-3-7-21-12)17-13(18-19)11-4-2-6-15-8-11/h2-8H,9H2,1H3,(H,16,17,18).
What are the key properties of 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone?
1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone has a molecular weight of 283.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone is sourced from PubChem (CID 2979709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).