1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol

C14H16N6O2 — CID 4727129

IUPAC1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc(CNn3nnnc3N)o2)cc1
InChIInChI=1S/C14H16N6O2/c1-9(21)10-2-4-11(5-3-10)13-7-6-12(22-13)8-16-20-14(15)17-18-19-20/h2-7,9,16,21H,8H2,1H3,(H2,15,17,19)
InChIKeyMWKRSRDHOMGKDX-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.31
Rot. Bonds5

About 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol

1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol (PubChem CID 4727129) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
PubChem CID4727129
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc(CNn3nnnc3N)o2)cc1
InChIInChI=1S/C14H16N6O2/c1-9(21)10-2-4-11(5-3-10)13-7-6-12(22-13)8-16-20-14(15)17-18-19-20/h2-7,9,16,21H,8H2,1H3,(H2,15,17,19)
InChIKeyMWKRSRDHOMGKDX-UHFFFAOYSA-N
XLogP1.31
TPSA115.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol?
The IUPAC name of 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol (CID 4727129) is 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol?
The canonical SMILES for 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol is CC(O)c1ccc(-c2ccc(CNn3nnnc3N)o2)cc1.
What is the InChIKey of 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol?
The InChIKey is MWKRSRDHOMGKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-9(21)10-2-4-11(5-3-10)13-7-6-12(22-13)8-16-20-14(15)17-18-19-20/h2-7,9,16,21H,8H2,1H3,(H2,15,17,19).
What are the key properties of 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol?
1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol has a molecular weight of 300.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol is sourced from PubChem (CID 4727129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).