3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol

C14H19N5O2 — CID 139006224

IUPAC3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol
SMILESCC(c1nnnn1C)N1CCOC(c2cccc(O)c2)C1
InChIInChI=1S/C14H19N5O2/c1-10(14-15-16-17-18(14)2)19-6-7-21-13(9-19)11-4-3-5-12(20)8-11/h3-5,8,10,13,20H,6-7,9H2,1-2H3
InChIKeyBQUVKLQDTYPCFT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.05
Rot. Bonds3

About 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol

3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol (PubChem CID 139006224) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol
PubChem CID139006224
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol
SMILESCC(c1nnnn1C)N1CCOC(c2cccc(O)c2)C1
InChIInChI=1S/C14H19N5O2/c1-10(14-15-16-17-18(14)2)19-6-7-21-13(9-19)11-4-3-5-12(20)8-11/h3-5,8,10,13,20H,6-7,9H2,1-2H3
InChIKeyBQUVKLQDTYPCFT-UHFFFAOYSA-N
XLogP1.05
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol?
The IUPAC name of 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol (CID 139006224) is 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol.
What is the SMILES notation for 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol?
The canonical SMILES for 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol is CC(c1nnnn1C)N1CCOC(c2cccc(O)c2)C1.
What is the InChIKey of 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol?
The InChIKey is BQUVKLQDTYPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(14-15-16-17-18(14)2)19-6-7-21-13(9-19)11-4-3-5-12(20)8-11/h3-5,8,10,13,20H,6-7,9H2,1-2H3.
What are the key properties of 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol?
3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol has a molecular weight of 289.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(1-methyltetrazol-5-yl)ethyl]morpholin-2-yl]phenol is sourced from PubChem (CID 139006224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).