3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C15H24N6O — CID 91768330

IUPAC3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCc1nccn1Cc1nnc(C2CC(N)C2)n1CCOC
InChIInChI=1S/C15H24N6O/c1-3-13-17-4-5-20(13)10-14-18-19-15(11-8-12(16)9-11)21(14)6-7-22-2/h4-5,11-12H,3,6-10,16H2,1-2H3
InChIKeyMILSSQHRMJFECK-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.94
Rot. Bonds7

About 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91768330) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91768330
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCc1nccn1Cc1nnc(C2CC(N)C2)n1CCOC
InChIInChI=1S/C15H24N6O/c1-3-13-17-4-5-20(13)10-14-18-19-15(11-8-12(16)9-11)21(14)6-7-22-2/h4-5,11-12H,3,6-10,16H2,1-2H3
InChIKeyMILSSQHRMJFECK-UHFFFAOYSA-N
XLogP0.94
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cis-3-[5-[(4-tert-butyl-1H-imidazol-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91762385
2-[3-methyl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]ethanol
CID 97453307
3-[1-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-4-(2-methoxyethyl)-4H-1,2,4-triazole
CID 56900240
4-({5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70730570
Methyl 2-[5-[cyclopropyl-(3-imidazol-1-ylpropylamino)methyl]tetrazol-1-yl]acetate
CID 25060167
Methyl 2-[5-[1-(3-imidazol-1-ylpropylamino)cyclobutyl]tetrazol-1-yl]acetate
CID 59345519
3-Ethyl-1-[1-(2-methoxyethyl)imidazol-2-yl]-1,2,4-triazole
CID 173073539
5-[2-[1-(2-methoxyethyl)imidazol-2-yl]ethyl]-1H-1,2,4-triazole
CID 173073541
Methyl 2-[5-[cyclobutyl-(3-imidazol-1-ylpropylamino)methyl]tetrazol-1-yl]acetate
CID 25059912
2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62581459
1-[1-[(2-Methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]butan-2-amine
CID 65615822
1-[1-[[2-(2-Methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]propan-2-amine
CID 65620366

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91768330) is 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCc1nccn1Cc1nnc(C2CC(N)C2)n1CCOC.
What is the InChIKey of 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is MILSSQHRMJFECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-3-13-17-4-5-20(13)10-14-18-19-15(11-8-12(16)9-11)21(14)6-7-22-2/h4-5,11-12H,3,6-10,16H2,1-2H3.
What are the key properties of 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 304.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-ethylimidazol-1-yl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91768330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).