4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one

C10H17N5O2 — CID 13103357

IUPAC4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one
SMILESCc1nnnn1CCCC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2/c1-9-11-12-13-15(9)4-2-3-10(16)14-5-7-17-8-6-14/h2-8H2,1H3
InChIKeyGWYWLZOWBQEOOA-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.38
Rot. Bonds4

About 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one

4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one (PubChem CID 13103357) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one
PubChem CID13103357
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one
SMILESCc1nnnn1CCCC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2/c1-9-11-12-13-15(9)4-2-3-10(16)14-5-7-17-8-6-14/h2-8H2,1H3
InChIKeyGWYWLZOWBQEOOA-UHFFFAOYSA-N
XLogP-0.38
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Tetrazole-1-butanamide, N,N-diethyl-5-methyl-
CID 3061971
4-({1-[4-oxo-4-(3-propoxy-1-piperidinyl)butyl]-1H-tetrazol-5-yl}methyl)morpholine
CID 24791236
N,N-diethyl-1-{3-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]propanoyl}-3-pyrrolidinamine
CID 24791608
(3S*)-1-isobutyl-3-methyl-4-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-2-piperazinone
CID 28134259
N-methyl-2-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
CID 25293367
N-[2-(diethylamino)ethyl]-N-ethyl-2-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]acetamide
CID 25395883
N-[(1-{2-[4-(2-methoxyethyl)-1-piperazinyl]-2-oxoethyl}-1H-tetrazol-5-yl)methyl]-N-methyl-2-propanamine
CID 26333201
(3S*)-1-ethyl-3-methyl-4-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-2-piperazinone
CID 28390709
N,N-diethyl-1-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-3-pyrrolidinamine
CID 45216481
4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide
CID 13103342
N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103343
4-(5-Methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one
CID 13103358

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one (CID 13103357) is 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one is Cc1nnnn1CCCC(=O)N1CCOCC1.
What is the InChIKey of 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one?
The InChIKey is GWYWLZOWBQEOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-9-11-12-13-15(9)4-2-3-10(16)14-5-7-17-8-6-14/h2-8H2,1H3.
What are the key properties of 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one?
4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one has a molecular weight of 239.28 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 13103357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).