1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine

C12H21BrN4O2 — CID 106463020

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2c(Br)nnn2C)CCOCC1
InChIInChI=1S/C12H21BrN4O2/c1-4-19-12(5-7-18-8-6-12)10(14-2)9-11(13)15-16-17(9)3/h10,14H,4-8H2,1-3H3
InChIKeyGFWAVRNFZYGFQB-UHFFFAOYSA-N
MW333.23 g/mol
LogP1.42
Rot. Bonds5

About 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine

1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine (PubChem CID 106463020) has the molecular formula C12H21BrN4O2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
PubChem CID106463020
Molecular FormulaC12H21BrN4O2
Molecular Weight333.23 g/mol
Exact Mass332.08
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2c(Br)nnn2C)CCOCC1
InChIInChI=1S/C12H21BrN4O2/c1-4-19-12(5-7-18-8-6-12)10(14-2)9-11(13)15-16-17(9)3/h10,14H,4-8H2,1-3H3
InChIKeyGFWAVRNFZYGFQB-UHFFFAOYSA-N
XLogP1.42
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 106466257
N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 106463034
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 106462661
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 106462943
1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779
1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 106462655
N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114661923
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051149
1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765595

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine (CID 106463020) is 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine is CCOC1(C(NC)c2c(Br)nnn2C)CCOCC1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
The InChIKey is GFWAVRNFZYGFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O2/c1-4-19-12(5-7-18-8-6-12)10(14-2)9-11(13)15-16-17(9)3/h10,14H,4-8H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine?
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine has a molecular weight of 333.23 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 106463020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).