(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine

C15H25N7O — CID 95287030

IUPAC(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCCCCn1nnnc1CN1CCO[C@@H](Cn2cc(C)cn2)C1
InChIInChI=1S/C15H25N7O/c1-3-4-5-22-15(17-18-19-22)12-20-6-7-23-14(10-20)11-21-9-13(2)8-16-21/h8-9,14H,3-7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyXZSRWZOICXWSDM-CQSZACIVSA-N
MW319.41 g/mol
LogP0.88
Rot. Bonds7

About (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine

(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (PubChem CID 95287030) has the molecular formula C15H25N7O and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
PubChem CID95287030
Molecular FormulaC15H25N7O
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC Name(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCCCCn1nnnc1CN1CCO[C@@H](Cn2cc(C)cn2)C1
InChIInChI=1S/C15H25N7O/c1-3-4-5-22-15(17-18-19-22)12-20-6-7-23-14(10-20)11-21-9-13(2)8-16-21/h8-9,14H,3-7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyXZSRWZOICXWSDM-CQSZACIVSA-N
XLogP0.88
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289927
1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole
CID 95353791
1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine
CID 86773540
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
1-[3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
CID 95285675
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 95285530
N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide
CID 95293347
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine
CID 95285743
(2R,6S)-4-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94015004
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98153752
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (CID 95287030) is (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is CCCCn1nnnc1CN1CCO[C@@H](Cn2cc(C)cn2)C1.
What is the InChIKey of (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The InChIKey is XZSRWZOICXWSDM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N7O/c1-3-4-5-22-15(17-18-19-22)12-20-6-7-23-14(10-20)11-21-9-13(2)8-16-21/h8-9,14H,3-7,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine has a molecular weight of 319.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 95287030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).