5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride

C13H17ClN6O — CID 67063784

IUPAC5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CCCc2cn(Cc3ccco3)nn2)[nH]1
InChIInChI=1S/C13H16N6O.ClH/c14-13-15-7-10(16-13)3-1-4-11-8-19(18-17-11)9-12-5-2-6-20-12;/h2,5-8H,1,3-4,9H2,(H3,14,15,16);1H
InChIKeyQKCUCYHYVZVDGS-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.82
Rot. Bonds6

About 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride

5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride (PubChem CID 67063784) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride
PubChem CID67063784
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CCCc2cn(Cc3ccco3)nn2)[nH]1
InChIInChI=1S/C13H16N6O.ClH/c14-13-15-7-10(16-13)3-1-4-11-8-19(18-17-11)9-12-5-2-6-20-12;/h2,5-8H,1,3-4,9H2,(H3,14,15,16);1H
InChIKeyQKCUCYHYVZVDGS-UHFFFAOYSA-N
XLogP1.82
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride (CID 67063784) is 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride is Cl.Nc1ncc(CCCc2cn(Cc3ccco3)nn2)[nH]1.
What is the InChIKey of 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride?
The InChIKey is QKCUCYHYVZVDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O.ClH/c14-13-15-7-10(16-13)3-1-4-11-8-19(18-17-11)9-12-5-2-6-20-12;/h2,5-8H,1,3-4,9H2,(H3,14,15,16);1H.
What are the key properties of 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride?
5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride has a molecular weight of 308.77 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(furan-2-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 67063784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).