1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol

C10H14N4O2 — CID 62119007

IUPAC1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCn1cnnc1CNCC(O)c1ccco1
InChIInChI=1S/C10H14N4O2/c1-14-7-12-13-10(14)6-11-5-8(15)9-3-2-4-16-9/h2-4,7-8,11,15H,5-6H2,1H3
InChIKeyVIZPQUQGBCQVBJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.23
Rot. Bonds5

About 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol

1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol (PubChem CID 62119007) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
PubChem CID62119007
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCn1cnnc1CNCC(O)c1ccco1
InChIInChI=1S/C10H14N4O2/c1-14-7-12-13-10(14)6-11-5-8(15)9-3-2-4-16-9/h2-4,7-8,11,15H,5-6H2,1H3
InChIKeyVIZPQUQGBCQVBJ-UHFFFAOYSA-N
XLogP0.23
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol (CID 62119007) is 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol is Cn1cnnc1CNCC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The InChIKey is VIZPQUQGBCQVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14-7-12-13-10(14)6-11-5-8(15)9-3-2-4-16-9/h2-4,7-8,11,15H,5-6H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol has a molecular weight of 222.25 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 62119007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).