N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine

C10H16N6 — CID 82876819

IUPACN-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1cn[nH]n1
InChIInChI=1S/C10H16N6/c1-3-11-9(10-7-12-15-13-10)6-8-4-5-16(2)14-8/h4-5,7,9,11H,3,6H2,1-2H3,(H,12,13,15)
InChIKeyCQEZCCWBHDWWHW-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.43
Rot. Bonds5

About N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine

N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine (PubChem CID 82876819) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine
PubChem CID82876819
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1cn[nH]n1
InChIInChI=1S/C10H16N6/c1-3-11-9(10-7-12-15-13-10)6-8-4-5-16(2)14-8/h4-5,7,9,11H,3,6H2,1-2H3,(H,12,13,15)
InChIKeyCQEZCCWBHDWWHW-UHFFFAOYSA-N
XLogP0.43
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
CID 107050427
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105175044
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105175015
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N-ethyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876707
N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878243
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105025235
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877569
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175018

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine (CID 82876819) is N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1cn[nH]n1.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine?
The InChIKey is CQEZCCWBHDWWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-11-9(10-7-12-15-13-10)6-8-4-5-16(2)14-8/h4-5,7,9,11H,3,6H2,1-2H3,(H,12,13,15).
What are the key properties of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine?
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine is sourced from PubChem (CID 82876819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).