5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

C8H14N6 — CID 126979390

IUPAC5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCCn2ccnn2)N1
InChIInChI=1S/C8H14N6/c1-7-6-10-8(12-7)9-2-4-14-5-3-11-13-14/h3,5,7H,2,4,6H2,1H3,(H2,9,10,12)
InChIKeyDJEDBUDOPLICOP-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.78
Rot. Bonds3

About 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 126979390) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID126979390
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCCn2ccnn2)N1
InChIInChI=1S/C8H14N6/c1-7-6-10-8(12-7)9-2-4-14-5-3-11-13-14/h3,5,7H,2,4,6H2,1H3,(H2,9,10,12)
InChIKeyDJEDBUDOPLICOP-UHFFFAOYSA-N
XLogP-0.78
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
CID 55290949
N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 122097285
6-chloro-2-N,2-N-dimethyl-4-N-[2-(triazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 113413157
3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449404
3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449275
2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine
CID 113375242
5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971371
3-N-methyl-5-N-[2-(triazol-1-yl)ethyl]pyridine-3,5-diamine
CID 104535868
3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659902
1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374919
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 116521666
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 120972743

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 126979390) is 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(NCCn2ccnn2)N1.
What is the InChIKey of 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is DJEDBUDOPLICOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c1-7-6-10-8(12-7)9-2-4-14-5-3-11-13-14/h3,5,7H,2,4,6H2,1H3,(H2,9,10,12).
What are the key properties of 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 194.24 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 126979390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).