(3S)-3-(2H-tetrazol-5-ylmethyl)morpholine

C6H11N5O — CID 55253377

IUPAC(3S)-3-(2H-tetrazol-5-ylmethyl)morpholine
SMILESC1COC[C@H](Cc2nn[nH]n2)N1
InChIInChI=1S/C6H11N5O/c1-2-12-4-5(7-1)3-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/t5-/m0/s1
InChIKeyJLJRWSOEQLMFIN-YFKPBYRVSA-N
MW169.19 g/mol
LogP-1.27
Rot. Bonds2

About (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine

(3S)-3-(2H-tetrazol-5-ylmethyl)morpholine (PubChem CID 55253377) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(2H-tetrazol-5-ylmethyl)morpholine
PubChem CID55253377
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name(3S)-3-(2H-tetrazol-5-ylmethyl)morpholine
SMILESC1COC[C@H](Cc2nn[nH]n2)N1
InChIInChI=1S/C6H11N5O/c1-2-12-4-5(7-1)3-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/t5-/m0/s1
InChIKeyJLJRWSOEQLMFIN-YFKPBYRVSA-N
XLogP-1.27
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(pyrrolidin-2-ylmethyl)-2H-tetrazole
CID 53421238
3-(thiatriazol-5-ylmethyl)morpholine
CID 116985755
3-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]morpholine
CID 83858621
3-(bromomethyl)morpholine
CID 70577689
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
3-[(4-propylpyrimidin-2-yl)methyl]morpholine
CID 116901884
6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83856794
3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
CID 129319991
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one
CID 83846886
3-[(5-methylfuran-2-yl)methyl]morpholine
CID 116927979
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine?
The IUPAC name of (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine (CID 55253377) is (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine.
What is the SMILES notation for (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine?
The canonical SMILES for (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine is C1COC[C@H](Cc2nn[nH]n2)N1.
What is the InChIKey of (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine?
The InChIKey is JLJRWSOEQLMFIN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N5O/c1-2-12-4-5(7-1)3-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/t5-/m0/s1.
What are the key properties of (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine?
(3S)-3-(2H-tetrazol-5-ylmethyl)morpholine has a molecular weight of 169.19 g/mol, XLogP of -1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2H-tetrazol-5-ylmethyl)morpholine is sourced from PubChem (CID 55253377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).