4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol

C15H15N7O2 — CID 163770517

IUPAC4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol
SMILESNc1nc(NCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12
InChIInChI=1S/C15H15N7O2/c16-13-19-14(17-8-9-3-5-10(23)6-4-9)20-15-18-12(21-22(13)15)11-2-1-7-24-11/h2-6,23H,1,7-8H2,(H3,16,17,18,19,20,21)
InChIKeyMFZXVXMKTFLBOH-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.18
Rot. Bonds4

About 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol

4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol (PubChem CID 163770517) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol
PubChem CID163770517
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol
SMILESNc1nc(NCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12
InChIInChI=1S/C15H15N7O2/c16-13-19-14(17-8-9-3-5-10(23)6-4-9)20-15-18-12(21-22(13)15)11-2-1-7-24-11/h2-6,23H,1,7-8H2,(H3,16,17,18,19,20,21)
InChIKeyMFZXVXMKTFLBOH-UHFFFAOYSA-N
XLogP1.18
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol (CID 163770517) is 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol is Nc1nc(NCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12.
What is the InChIKey of 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol?
The InChIKey is MFZXVXMKTFLBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c16-13-19-14(17-8-9-3-5-10(23)6-4-9)20-15-18-12(21-22(13)15)11-2-1-7-24-11/h2-6,23H,1,7-8H2,(H3,16,17,18,19,20,21).
What are the key properties of 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol?
4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol has a molecular weight of 325.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[7-amino-2-(2,3-dihydrofuran-5-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol is sourced from PubChem (CID 163770517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).