5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride

C11H13ClN6O — CID 67064137

IUPAC5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1
InChIInChI=1S/C11H12N6O.ClH/c12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10;/h1-3,5-6H,4,7H2,(H3,12,13,14);1H
InChIKeySDWCTEMRTQQJBW-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.24
Rot. Bonds4

About 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride

5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride (PubChem CID 67064137) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride
PubChem CID67064137
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1
InChIInChI=1S/C11H12N6O.ClH/c12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10;/h1-3,5-6H,4,7H2,(H3,12,13,14);1H
InChIKeySDWCTEMRTQQJBW-UHFFFAOYSA-N
XLogP1.24
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride (CID 67064137) is 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride is Cl.Nc1ncc(Cc2cn(Cc3ccco3)nn2)[nH]1.
What is the InChIKey of 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride?
The InChIKey is SDWCTEMRTQQJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O.ClH/c12-11-13-5-8(14-11)4-9-6-17(16-15-9)7-10-2-1-3-18-10;/h1-3,5-6H,4,7H2,(H3,12,13,14);1H.
What are the key properties of 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride?
5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride has a molecular weight of 280.72 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(furan-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 67064137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).