(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

C14H23N7O — CID 95289927

IUPAC(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCCCCn1nnnc1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C14H23N7O/c1-2-3-7-21-14(16-17-18-21)12-19-8-9-22-13(10-19)11-20-6-4-5-15-20/h4-6,13H,2-3,7-12H2,1H3/t13-/m0/s1
InChIKeyAGOVSIDZGYDMGM-ZDUSSCGKSA-N
MW305.39 g/mol
LogP0.57
Rot. Bonds7

About (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95289927) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95289927
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCCCCn1nnnc1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C14H23N7O/c1-2-3-7-21-14(16-17-18-21)12-19-8-9-22-13(10-19)11-20-6-4-5-15-20/h4-6,13H,2-3,7-12H2,1H3/t13-/m0/s1
InChIKeyAGOVSIDZGYDMGM-ZDUSSCGKSA-N
XLogP0.57
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95287030
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95287197
(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 164636876
(2R)-4-[(5-methylpyrazin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279141
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
1,3-dimethyl-6-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 95279155
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
(2R,6S)-4-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94015004
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289806

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95289927) is (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is CCCCn1nnnc1CN1CCO[C@H](Cn2cccn2)C1.
What is the InChIKey of (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is AGOVSIDZGYDMGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N7O/c1-2-3-7-21-14(16-17-18-21)12-19-8-9-22-13(10-19)11-20-6-4-5-15-20/h4-6,13H,2-3,7-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 305.39 g/mol, XLogP of 0.57, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95289927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).