oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine

C12H18N6O — CID 114721830

IUPACoxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine
SMILESNC(c1cncn1CCn1ccnn1)C1CCOC1
InChIInChI=1S/C12H18N6O/c13-12(10-1-6-19-8-10)11-7-14-9-17(11)4-5-18-3-2-15-16-18/h2-3,7,9-10,12H,1,4-6,8,13H2
InChIKeyTUZPJPABEKIPSG-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.21
Rot. Bonds5

About oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine

oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine (PubChem CID 114721830) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Nameoxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine
PubChem CID114721830
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Nameoxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine
SMILESNC(c1cncn1CCn1ccnn1)C1CCOC1
InChIInChI=1S/C12H18N6O/c13-12(10-1-6-19-8-10)11-7-14-9-17(11)4-5-18-3-2-15-16-18/h2-3,7,9-10,12H,1,4-6,8,13H2
InChIKeyTUZPJPABEKIPSG-UHFFFAOYSA-N
XLogP0.21
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103013049
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939
[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720958
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720232
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718953
[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106410300

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine (CID 114721830) is oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine is NC(c1cncn1CCn1ccnn1)C1CCOC1.
What is the InChIKey of oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is TUZPJPABEKIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c13-12(10-1-6-19-8-10)11-7-14-9-17(11)4-5-18-3-2-15-16-18/h2-3,7,9-10,12H,1,4-6,8,13H2.
What are the key properties of oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine?
oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 262.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 114721830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).