N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine

C14H18N6O — CID 106302264

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCCn1cnnc1CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C14H18N6O/c1-3-20-10-17-18-12(20)9-16-13(11-5-4-8-21-11)14-15-6-7-19(14)2/h4-8,10,13,16H,3,9H2,1-2H3
InChIKeyOEIIEOGGQNZGQG-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.50
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 106302264) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine
PubChem CID106302264
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCCn1cnnc1CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C14H18N6O/c1-3-20-10-17-18-12(20)9-16-13(11-5-4-8-21-11)14-15-6-7-19(14)2/h4-8,10,13,16H,3,9H2,1-2H3
InChIKeyOEIIEOGGQNZGQG-UHFFFAOYSA-N
XLogP1.50
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61044445
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
N-ethyl-2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylacetamide
CID 107856099
2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 43767473
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427266
1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol
CID 107151567
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine (CID 106302264) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine is CCn1cnnc1CNC(c1ccco1)c1nccn1C.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is OEIIEOGGQNZGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-3-20-10-17-18-12(20)9-16-13(11-5-4-8-21-11)14-15-6-7-19(14)2/h4-8,10,13,16H,3,9H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 286.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 106302264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).