5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine

C8H8N4O — CID 43134504

IUPAC5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(N)n2)o1
InChIInChI=1S/C8H8N4O/c1-5-2-3-7(13-5)6-4-10-12-8(9)11-6/h2-4H,1H3,(H2,9,11,12)
InChIKeyHFJIFURWSWKXBG-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.02
Rot. Bonds1

About 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine

5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine (PubChem CID 43134504) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
PubChem CID43134504
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(N)n2)o1
InChIInChI=1S/C8H8N4O/c1-5-2-3-7(13-5)6-4-10-12-8(9)11-6/h2-4H,1H3,(H2,9,11,12)
InChIKeyHFJIFURWSWKXBG-UHFFFAOYSA-N
XLogP1.02
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine (CID 43134504) is 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine is Cc1ccc(-c2cnnc(N)n2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is HFJIFURWSWKXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-2-3-7(13-5)6-4-10-12-8(9)11-6/h2-4H,1H3,(H2,9,11,12).
What are the key properties of 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 176.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 43134504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).