1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine

C9H14N6 — CID 107050560

IUPAC1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2nccn2C)nn1
InChIInChI=1S/C9H14N6/c1-14-4-3-11-9(14)8(10)5-7-6-15(2)13-12-7/h3-4,6,8H,5,10H2,1-2H3
InChIKeyXDRXILLOKLVVSP-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.21
Rot. Bonds3

About 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine

1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107050560) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107050560
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2nccn2C)nn1
InChIInChI=1S/C9H14N6/c1-14-4-3-11-9(14)8(10)5-7-6-15(2)13-12-7/h3-4,6,8H,5,10H2,1-2H3
InChIKeyXDRXILLOKLVVSP-UHFFFAOYSA-N
XLogP-0.21
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylimidazol-4-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050777
2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63975383
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
1-(5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064105
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
1-(2-bromo-4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063908
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736
1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049288
methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
CID 165494326
1-(1-methylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063793

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107050560) is 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine is Cn1cc(CC(N)c2nccn2C)nn1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is XDRXILLOKLVVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-4-3-11-9(14)8(10)5-7-6-15(2)13-12-7/h3-4,6,8H,5,10H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 206.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107050560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).