4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium

C7H14N5O+ — CID 5073760

IUPAC4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium
SMILESCn1nnnc1C[NH+]1CCOCC1
InChIInChI=1S/C7H13N5O/c1-11-7(8-9-10-11)6-12-2-4-13-5-3-12/h2-6H2,1H3/p+1
InChIKeyNVVUYPSWPMUKAS-UHFFFAOYSA-O
MW184.22 g/mol
LogP-2.37
Rot. Bonds2

About 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium

4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium (PubChem CID 5073760) has the molecular formula C7H14N5O+ and a molecular weight of 184.22 g/mol. Its IUPAC name is 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium
PubChem CID5073760
Molecular FormulaC7H14N5O+
Molecular Weight184.22 g/mol
Exact Mass184.12
IUPAC Name4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium
SMILESCn1nnnc1C[NH+]1CCOCC1
InChIInChI=1S/C7H13N5O/c1-11-7(8-9-10-11)6-12-2-4-13-5-3-12/h2-6H2,1H3/p+1
InChIKeyNVVUYPSWPMUKAS-UHFFFAOYSA-O
XLogP-2.37
TPSA57.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-2.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium (CID 5073760) is 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium is Cn1nnnc1C[NH+]1CCOCC1.
What is the InChIKey of 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium?
The InChIKey is NVVUYPSWPMUKAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N5O/c1-11-7(8-9-10-11)6-12-2-4-13-5-3-12/h2-6H2,1H3/p+1.
What are the key properties of 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium?
4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium has a molecular weight of 184.22 g/mol, XLogP of -2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltetrazol-5-yl)methyl]morpholin-4-ium is sourced from PubChem (CID 5073760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).