[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride

C7H9ClN4O — CID 50988711

IUPAC[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C7H8N4O.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h1-3H,4,8H2,(H,9,10,11);1H
InChIKeyLZFWVBLPIWPIAR-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.95
Rot. Bonds2

About [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride

[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride (PubChem CID 50988711) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride
PubChem CID50988711
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C7H8N4O.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h1-3H,4,8H2,(H,9,10,11);1H
InChIKeyLZFWVBLPIWPIAR-UHFFFAOYSA-N
XLogP0.95
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride (CID 50988711) is [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(-c2ccco2)n[nH]1.
What is the InChIKey of [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride?
The InChIKey is LZFWVBLPIWPIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h1-3H,4,8H2,(H,9,10,11);1H.
What are the key properties of [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride?
[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride has a molecular weight of 200.63 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 50988711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).