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

C14H18N4O2 — CID 42150841

IUPAC5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(NCC3CCOCC3)n2)o1
InChIInChI=1S/C14H18N4O2/c1-10-2-3-13(20-10)12-9-16-18-14(17-12)15-8-11-4-6-19-7-5-11/h2-3,9,11H,4-8H2,1H3,(H,15,17,18)
InChIKeyXONLWSJWJGZRGJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.28
Rot. Bonds4

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

5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 42150841) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID42150841
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(NCC3CCOCC3)n2)o1
InChIInChI=1S/C14H18N4O2/c1-10-2-3-13(20-10)12-9-16-18-14(17-12)15-8-11-4-6-19-7-5-11/h2-3,9,11H,4-8H2,1H3,(H,15,17,18)
InChIKeyXONLWSJWJGZRGJ-UHFFFAOYSA-N
XLogP2.28
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine (CID 42150841) is 5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine is Cc1ccc(-c2cnnc(NCC3CCOCC3)n2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is XONLWSJWJGZRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-2-3-13(20-10)12-9-16-18-14(17-12)15-8-11-4-6-19-7-5-11/h2-3,9,11H,4-8H2,1H3,(H,15,17,18).
What are the key properties of 5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine?
5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 274.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42150841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).