4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine

C10H10N6O — CID 10633208

IUPAC4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine
SMILESCn1cc(-c2n[nH]c(-c3ccco3)n2)c(N)n1
InChIInChI=1S/C10H10N6O/c1-16-5-6(8(11)15-16)9-12-10(14-13-9)7-3-2-4-17-7/h2-5H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyOLUDFFLNUJSCKX-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.05
Rot. Bonds2

About 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine

4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine (PubChem CID 10633208) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine
PubChem CID10633208
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine
SMILESCn1cc(-c2n[nH]c(-c3ccco3)n2)c(N)n1
InChIInChI=1S/C10H10N6O/c1-16-5-6(8(11)15-16)9-12-10(14-13-9)7-3-2-4-17-7/h2-5H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyOLUDFFLNUJSCKX-UHFFFAOYSA-N
XLogP1.05
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine?
The IUPAC name of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine (CID 10633208) is 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine?
The canonical SMILES for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine is Cn1cc(-c2n[nH]c(-c3ccco3)n2)c(N)n1.
What is the InChIKey of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine?
The InChIKey is OLUDFFLNUJSCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-16-5-6(8(11)15-16)9-12-10(14-13-9)7-3-2-4-17-7/h2-5H,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine?
4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine has a molecular weight of 230.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 10633208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).