2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine

C10H16N6 — CID 103002040

IUPAC2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine
SMILESCn1nccc1CCNCCn1ccnn1
InChIInChI=1S/C10H16N6/c1-15-10(3-5-13-15)2-4-11-6-8-16-9-7-12-14-16/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyWWUMDEKYOBMNNO-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.16
Rot. Bonds6

About 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine

2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine (PubChem CID 103002040) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine
PubChem CID103002040
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine
SMILESCn1nccc1CCNCCn1ccnn1
InChIInChI=1S/C10H16N6/c1-15-10(3-5-13-15)2-4-11-6-8-16-9-7-12-14-16/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyWWUMDEKYOBMNNO-UHFFFAOYSA-N
XLogP-0.16
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrazol-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 114143932
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
N-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-1-amine
CID 103001636
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671
N-[[4-(methoxymethyl)phenyl]methyl]-2-(triazol-1-yl)ethanamine
CID 113375117

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine (CID 103002040) is 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine is Cn1nccc1CCNCCn1ccnn1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The InChIKey is WWUMDEKYOBMNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-15-10(3-5-13-15)2-4-11-6-8-16-9-7-12-14-16/h3,5,7,9,11H,2,4,6,8H2,1H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 103002040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).