N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine

C10H16N6 — CID 64546572

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCn1ccnc1CNCCc1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-2-16-6-5-12-10(16)7-11-4-3-9-13-8-14-15-9/h5-6,8,11H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyLCQVUSYBLYPVSF-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.35
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine

N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 64546572) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID64546572
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCn1ccnc1CNCCc1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-2-16-6-5-12-10(16)7-11-4-3-9-13-8-14-15-9/h5-6,8,11H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyLCQVUSYBLYPVSF-UHFFFAOYSA-N
XLogP0.35
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830781
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 46784377
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 79605019
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955
N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546351
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine (CID 64546572) is N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine is CCn1ccnc1CNCCc1ncn[nH]1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is LCQVUSYBLYPVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-2-16-6-5-12-10(16)7-11-4-3-9-13-8-14-15-9/h5-6,8,11H,2-4,7H2,1H3,(H,13,14,15).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 64546572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).