N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine

C11H20N4O — CID 103910381

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine
SMILESCCn1cnnc1CNC1CCOC(C)C1
InChIInChI=1S/C11H20N4O/c1-3-15-8-13-14-11(15)7-12-10-4-5-16-9(2)6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyVYUHDCQTOKZYMA-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.96
Rot. Bonds4

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine (PubChem CID 103910381) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine
PubChem CID103910381
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine
SMILESCCn1cnnc1CNC1CCOC(C)C1
InChIInChI=1S/C11H20N4O/c1-3-15-8-13-14-11(15)7-12-10-4-5-16-9(2)6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyVYUHDCQTOKZYMA-UHFFFAOYSA-N
XLogP0.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
CID 113260212
3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 103920990
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 115688865
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 106302127
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 103913826
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 75523195
2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
CID 103887825
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104527000
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 113260217
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 103887861
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 106704232

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine (CID 103910381) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine is CCn1cnnc1CNC1CCOC(C)C1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine?
The InChIKey is VYUHDCQTOKZYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-8-13-14-11(15)7-12-10-4-5-16-9(2)6-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine is sourced from PubChem (CID 103910381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).