5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine

C16H16N4O2 — CID 45185714

IUPAC5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESc1ccc2oc(-c3cnnc(NCC4CCCO4)n3)cc2c1
InChIInChI=1S/C16H16N4O2/c1-2-6-14-11(4-1)8-15(22-14)13-10-18-20-16(19-13)17-9-12-5-3-7-21-12/h1-2,4,6,8,10,12H,3,5,7,9H2,(H,17,19,20)
InChIKeyHOFTVNXPNPWDMY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.88
Rot. Bonds4

About 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine

5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 45185714) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID45185714
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESc1ccc2oc(-c3cnnc(NCC4CCCO4)n3)cc2c1
InChIInChI=1S/C16H16N4O2/c1-2-6-14-11(4-1)8-15(22-14)13-10-18-20-16(19-13)17-9-12-5-3-7-21-12/h1-2,4,6,8,10,12H,3,5,7,9H2,(H,17,19,20)
InChIKeyHOFTVNXPNPWDMY-UHFFFAOYSA-N
XLogP2.88
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-benzofuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine
CID 42190596
5-(1-benzofuran-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1,2,4-triazin-3-amine
CID 42520239
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944614
5-N-[(2-chlorophenyl)methyl]-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944542
5-N-tert-butyl-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944587
5-(1-benzofuran-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 56706668
5-N-(oxolan-2-ylmethyl)-3-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944366
5-N-(4-chlorophenyl)-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944629
5-N-(2,6-diethylphenyl)-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944621
methyl 2-[[3-(oxolan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112944658
3-N-(2-methylphenyl)-5-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944420
3-N-(3-chlorophenyl)-5-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944446

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine (CID 45185714) is 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine is c1ccc2oc(-c3cnnc(NCC4CCCO4)n3)cc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is HOFTVNXPNPWDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-6-14-11(4-1)8-15(22-14)13-10-18-20-16(19-13)17-9-12-5-3-7-21-12/h1-2,4,6,8,10,12H,3,5,7,9H2,(H,17,19,20).
What are the key properties of 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine?
5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 296.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 45185714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).