2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine

C9H18N4O — CID 62567608

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCn1nc(C)nc1C
InChIInChI=1S/C9H18N4O/c1-8-11-9(2)13(12-8)6-4-10-5-7-14-3/h10H,4-7H2,1-3H3
InChIKeyOQXBNBLKKLVKGP-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.13
Rot. Bonds6

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 62567608) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID62567608
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCn1nc(C)nc1C
InChIInChI=1S/C9H18N4O/c1-8-11-9(2)13(12-8)6-4-10-5-7-14-3/h10H,4-7H2,1-3H3
InChIKeyOQXBNBLKKLVKGP-UHFFFAOYSA-N
XLogP0.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine
CID 62447718
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107506155
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-4-methylaniline
CID 62566821
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]aniline
CID 62567609
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 61387751
1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119880873
N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62567391
4-chloro-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]aniline
CID 62566822
N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80635766
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62565277
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
1,5-bis(3,5-dimethyl-1,2,4-triazol-1-yl)pentan-3-one
CID 174840503

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine (CID 62567608) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCn1nc(C)nc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is OQXBNBLKKLVKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8-11-9(2)13(12-8)6-4-10-5-7-14-3/h10H,4-7H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 198.27 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 62567608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).