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

C14H16N6O2 — CID 8705168

IUPAC(1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@H](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)/t9-/m0/s1
InChIKeyMWKRSRDHOMGKDX-VIFPVBQESA-N
MW300.32 g/mol
LogP1.31
Rot. Bonds5

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

(1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol (PubChem CID 8705168) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is (1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
PubChem CID8705168
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name(1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@H](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)/t9-/m0/s1
InChIKeyMWKRSRDHOMGKDX-VIFPVBQESA-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

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

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Related Compounds

1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
CID 4727129
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17333543
(1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639555
4-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione
CID 8705185
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
CID 17210963
(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
CID 17333534
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol (CID 8705168) is (1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol is C[C@H](O)c1ccc(-c2ccc(CNn3nnnc3N)o2)cc1.
What is the InChIKey of (1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol?
The InChIKey is MWKRSRDHOMGKDX-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of (1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol?
(1S)-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 (1S)-1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol is sourced from PubChem (CID 8705168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).