1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one

C12H14ClN5O2 — CID 9193349

IUPAC1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one
SMILESO=c1n(CN2CCOCC2)nnn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN5O2/c13-10-3-1-2-4-11(10)18-12(19)17(14-15-18)9-16-5-7-20-8-6-16/h1-4H,5-9H2
InChIKeyLXHIXVLZRHKJOW-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.37
Rot. Bonds3

About 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one

1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one (PubChem CID 9193349) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one
PubChem CID9193349
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one
SMILESO=c1n(CN2CCOCC2)nnn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN5O2/c13-10-3-1-2-4-11(10)18-12(19)17(14-15-18)9-16-5-7-20-8-6-16/h1-4H,5-9H2
InChIKeyLXHIXVLZRHKJOW-UHFFFAOYSA-N
XLogP0.37
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one (CID 9193349) is 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one is O=c1n(CN2CCOCC2)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one?
The InChIKey is LXHIXVLZRHKJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c13-10-3-1-2-4-11(10)18-12(19)17(14-15-18)9-16-5-7-20-8-6-16/h1-4H,5-9H2.
What are the key properties of 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one?
1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one has a molecular weight of 295.73 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one is sourced from PubChem (CID 9193349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).