N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine

C13H17N5O — CID 83010323

IUPACN-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine
SMILESc1ccc(-c2n[nH]nc2CNN2CCOCC2)cc1
InChIInChI=1S/C13H17N5O/c1-2-4-11(5-3-1)13-12(15-17-16-13)10-14-18-6-8-19-9-7-18/h1-5,14H,6-10H2,(H,15,16,17)
InChIKeyCFMDIYXHIIWEAH-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.81
Rot. Bonds4

About N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine

N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine (PubChem CID 83010323) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine
PubChem CID83010323
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine
SMILESc1ccc(-c2n[nH]nc2CNN2CCOCC2)cc1
InChIInChI=1S/C13H17N5O/c1-2-4-11(5-3-1)13-12(15-17-16-13)10-14-18-6-8-19-9-7-18/h1-5,14H,6-10H2,(H,15,16,17)
InChIKeyCFMDIYXHIIWEAH-UHFFFAOYSA-N
XLogP0.81
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
CID 83011895
N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
CID 63643657
4-phenyl-5-propyl-2H-triazole
CID 66772707
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 63643841
4-ethyl-5-phenyl-2H-triazole
CID 15501643
N-(1,3-benzothiazol-2-ylmethyl)morpholin-4-amine
CID 83020838
N-(4,5-diphenyl-1,3-thiazol-2-yl)morpholin-4-amine
CID 10065675
1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
CID 63644369
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
2-fluoro-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline
CID 63643478
4-benzyl-5-phenyl-2H-triazole
CID 90419782
[1-[(5-phenyl-2H-triazol-4-yl)methylamino]cyclohexyl]methanol
CID 63642101

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine?
The IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine (CID 83010323) is N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine is c1ccc(-c2n[nH]nc2CNN2CCOCC2)cc1.
What is the InChIKey of N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine?
The InChIKey is CFMDIYXHIIWEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-4-11(5-3-1)13-12(15-17-16-13)10-14-18-6-8-19-9-7-18/h1-5,14H,6-10H2,(H,15,16,17).
What are the key properties of N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine?
N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2H-triazol-4-yl)methyl]morpholin-4-amine is sourced from PubChem (CID 83010323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).