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

C12H15ClN6O — CID 67064112

IUPAC5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CCc2n[nH]nc2Cc2ccco2)[nH]1
InChIInChI=1S/C12H14N6O.ClH/c13-12-14-7-8(15-12)3-4-10-11(17-18-16-10)6-9-2-1-5-19-9;/h1-2,5,7H,3-4,6H2,(H3,13,14,15)(H,16,17,18);1H
InChIKeyXRNSHAIRMMGHBX-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.50
Rot. Bonds5

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

5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride (PubChem CID 67064112) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride
PubChem CID67064112
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CCc2n[nH]nc2Cc2ccco2)[nH]1
InChIInChI=1S/C12H14N6O.ClH/c13-12-14-7-8(15-12)3-4-10-11(17-18-16-10)6-9-2-1-5-19-9;/h1-2,5,7H,3-4,6H2,(H3,13,14,15)(H,16,17,18);1H
InChIKeyXRNSHAIRMMGHBX-UHFFFAOYSA-N
XLogP1.50
TPSA109.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole
CID 117259115
2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine
CID 175456635
2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole
CID 117259797
6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one
CID 165345963
5-(furan-2-ylmethyl)-2,3-dimethylpyrazine
CID 12558437
5-bromo-2-(furan-2-ylmethoxy)pyridin-3-amine
CID 61227703
2-[4-(furan-2-ylmethyl)-1H-pyrazol-5-yl]ethanamine
CID 96624702
2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175868336
4-(furan-2-ylmethyl)pyridine-2,3-diamine;molecular nitrogen
CID 86744557
5-(furan-2-ylmethyl)-1H-pyrrole-2-carbonitrile
CID 100793852
2-(furan-2-ylmethyl)-1H-pyrrole
CID 11094769
5-N-[2-(furan-2-yl)ethyl]pyridine-3,5-diamine
CID 104533462

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride (CID 67064112) is 5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride is Cl.Nc1ncc(CCc2n[nH]nc2Cc2ccco2)[nH]1.
What is the InChIKey of 5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride?
The InChIKey is XRNSHAIRMMGHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O.ClH/c13-12-14-7-8(15-12)3-4-10-11(17-18-16-10)6-9-2-1-5-19-9;/h1-2,5,7H,3-4,6H2,(H3,13,14,15)(H,16,17,18);1H.
What are the key properties of 5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride?
5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride has a molecular weight of 294.75 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 67064112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).