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

C12H15ClN6O — CID 67064109

IUPAC5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CCc2cn(Cc3ccco3)nn2)[nH]1
InChIInChI=1S/C12H14N6O.ClH/c13-12-14-6-9(15-12)3-4-10-7-18(17-16-10)8-11-2-1-5-19-11;/h1-2,5-7H,3-4,8H2,(H3,13,14,15);1H
InChIKeyQDSUNOWPYGWNRX-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.43
Rot. Bonds5

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

5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride (PubChem CID 67064109) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride
PubChem CID67064109
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CCc2cn(Cc3ccco3)nn2)[nH]1
InChIInChI=1S/C12H14N6O.ClH/c13-12-14-6-9(15-12)3-4-10-7-18(17-16-10)8-11-2-1-5-19-11;/h1-2,5-7H,3-4,8H2,(H3,13,14,15);1H
InChIKeyQDSUNOWPYGWNRX-UHFFFAOYSA-N
XLogP1.43
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride (CID 67064109) is 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride is Cl.Nc1ncc(CCc2cn(Cc3ccco3)nn2)[nH]1.
What is the InChIKey of 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride?
The InChIKey is QDSUNOWPYGWNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O.ClH/c13-12-14-6-9(15-12)3-4-10-7-18(17-16-10)8-11-2-1-5-19-11;/h1-2,5-7H,3-4,8H2,(H3,13,14,15);1H.
What are the key properties of 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride?
5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride has a molecular weight of 294.75 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(furan-2-ylmethyl)triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 67064109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).