[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride

C12H24ClN5O — CID 120844444

IUPAC[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCC(C)(C)n1cc(CN2CCOC(CN)C2)nn1.Cl
InChIInChI=1S/C12H23N5O.ClH/c1-12(2,3)17-8-10(14-15-17)7-16-4-5-18-11(6-13)9-16;/h8,11H,4-7,9,13H2,1-3H3;1H
InChIKeyVAVGFWUFTNPZNQ-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.61
Rot. Bonds3

About [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride

[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120844444) has the molecular formula C12H24ClN5O and a molecular weight of 289.81 g/mol. Its IUPAC name is [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID120844444
Molecular FormulaC12H24ClN5O
Molecular Weight289.81 g/mol
Exact Mass289.17
IUPAC Name[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCC(C)(C)n1cc(CN2CCOC(CN)C2)nn1.Cl
InChIInChI=1S/C12H23N5O.ClH/c1-12(2,3)17-8-10(14-15-17)7-16-4-5-18-11(6-13)9-16;/h8,11H,4-7,9,13H2,1-3H3;1H
InChIKeyVAVGFWUFTNPZNQ-UHFFFAOYSA-N
XLogP0.61
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 120836716
(3S)-1-[(1-tert-butyltriazol-4-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845822
[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 114398947
[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 114395112
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride
CID 120966937
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
[4-(thiophen-2-ylmethyl)morpholin-2-yl]methanamine;dihydrochloride
CID 71432312
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392

Frequently Asked Questions

What is the IUPAC name of [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride (CID 120844444) is [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride is CC(C)(C)n1cc(CN2CCOC(CN)C2)nn1.Cl.
What is the InChIKey of [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is VAVGFWUFTNPZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O.ClH/c1-12(2,3)17-8-10(14-15-17)7-16-4-5-18-11(6-13)9-16;/h8,11H,4-7,9,13H2,1-3H3;1H.
What are the key properties of [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120844444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).