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

C8H8N4O — CID 139329612

IUPACN-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nccnn2)o1
InChIInChI=1S/C8H8N4O/c1-6-2-3-7(13-6)11-8-9-4-5-10-12-8/h2-5H,1H3,(H,9,11,12)
InChIKeyFRKYGKZWBHKSFY-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.52
Rot. Bonds2

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

N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine (PubChem CID 139329612) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
PubChem CID139329612
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nccnn2)o1
InChIInChI=1S/C8H8N4O/c1-6-2-3-7(13-6)11-8-9-4-5-10-12-8/h2-5H,1H3,(H,9,11,12)
InChIKeyFRKYGKZWBHKSFY-UHFFFAOYSA-N
XLogP1.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine (CID 139329612) is N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine is Cc1ccc(Nc2nccnn2)o1.
What is the InChIKey of N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is FRKYGKZWBHKSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6-2-3-7(13-6)11-8-9-4-5-10-12-8/h2-5H,1H3,(H,9,11,12).
What are the key properties of N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine?
N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 176.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 139329612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).