N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine

C11H21N5O — CID 43524751

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1nnc(CNCCN2CCOCC2)n1C
InChIInChI=1S/C11H21N5O/c1-10-13-14-11(15(10)2)9-12-3-4-16-5-7-17-8-6-16/h12H,3-9H2,1-2H3
InChIKeyJHDXDYWQCBQURB-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.45
Rot. Bonds5

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 43524751) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID43524751
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1nnc(CNCCN2CCOCC2)n1C
InChIInChI=1S/C11H21N5O/c1-10-13-14-11(15(10)2)9-12-3-4-16-5-7-17-8-6-16/h12H,3-9H2,1-2H3
InChIKeyJHDXDYWQCBQURB-UHFFFAOYSA-N
XLogP-0.45
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 62118462
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111753599
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylethanamine
CID 63966644
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-morpholin-4-ylaniline
CID 63172359
N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-[(4-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111768873
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 79578789
2-benzyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110953264
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 43524641
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine (CID 43524751) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine is Cc1nnc(CNCCN2CCOCC2)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is JHDXDYWQCBQURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-10-13-14-11(15(10)2)9-12-3-4-16-5-7-17-8-6-16/h12H,3-9H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 239.32 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 43524751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).