4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine

C12H23N5O — CID 51077751

IUPAC4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine
SMILESCCCCn1nnnc1CN1CC(C)OCC1C
InChIInChI=1S/C12H23N5O/c1-4-5-6-17-12(13-14-15-17)8-16-7-11(3)18-9-10(16)2/h10-11H,4-9H2,1-3H3
InChIKeyRDUJGKPPVHBQAD-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.08
Rot. Bonds5

About 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine

4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine (PubChem CID 51077751) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine
PubChem CID51077751
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine
SMILESCCCCn1nnnc1CN1CC(C)OCC1C
InChIInChI=1S/C12H23N5O/c1-4-5-6-17-12(13-14-15-17)8-16-7-11(3)18-9-10(16)2/h10-11H,4-9H2,1-3H3
InChIKeyRDUJGKPPVHBQAD-UHFFFAOYSA-N
XLogP1.08
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine?
The IUPAC name of 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine (CID 51077751) is 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine.
What is the SMILES notation for 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine?
The canonical SMILES for 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine is CCCCn1nnnc1CN1CC(C)OCC1C.
What is the InChIKey of 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine?
The InChIKey is RDUJGKPPVHBQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-5-6-17-12(13-14-15-17)8-16-7-11(3)18-9-10(16)2/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine?
4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine has a molecular weight of 253.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butyltetrazol-5-yl)methyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 51077751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).