N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine

C11H20N4O — CID 131914804

IUPACN-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1nncn1CCN(C)CC1CCOC1
InChIInChI=1S/C11H20N4O/c1-10-13-12-9-15(10)5-4-14(2)7-11-3-6-16-8-11/h9,11H,3-8H2,1-2H3
InChIKeyHURIJDKQBFQVKB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.55
Rot. Bonds5

About N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine

N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 131914804) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID131914804
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1nncn1CCN(C)CC1CCOC1
InChIInChI=1S/C11H20N4O/c1-10-13-12-9-15(10)5-4-14(2)7-11-3-6-16-8-11/h9,11H,3-8H2,1-2H3
InChIKeyHURIJDKQBFQVKB-UHFFFAOYSA-N
XLogP0.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(6-methyl-2-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 131932722
N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
CID 61312630
N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 125180092
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine
CID 77095526
N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
CID 130899262
1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
CID 63711885
N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine
CID 129398388
4-(2-chloroethyl)-3-methyl-1,2,4-triazole
CID 13396077
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine
CID 99951577
(E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 75482901
1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 63760483
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 131914804) is N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine is Cc1nncn1CCN(C)CC1CCOC1.
What is the InChIKey of N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is HURIJDKQBFQVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10-13-12-9-15(10)5-4-14(2)7-11-3-6-16-8-11/h9,11H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine?
N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-1,2,4-triazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 131914804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).