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

C10H10N6O — CID 163315993

IUPAC5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCn1cc(-c2ccc(-c3nc(N)n[nH]3)o2)cn1
InChIInChI=1S/C10H10N6O/c1-16-5-6(4-12-16)7-2-3-8(17-7)9-13-10(11)15-14-9/h2-5H,1H3,(H3,11,13,14,15)
InChIKeyTYOBOLRUFZVWEA-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.05
Rot. Bonds2

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

5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 163315993) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine
PubChem CID163315993
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCn1cc(-c2ccc(-c3nc(N)n[nH]3)o2)cn1
InChIInChI=1S/C10H10N6O/c1-16-5-6(4-12-16)7-2-3-8(17-7)9-13-10(11)15-14-9/h2-5H,1H3,(H3,11,13,14,15)
InChIKeyTYOBOLRUFZVWEA-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 5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine (CID 163315993) is 5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine is Cn1cc(-c2ccc(-c3nc(N)n[nH]3)o2)cn1.
What is the InChIKey of 5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is TYOBOLRUFZVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-16-5-6(4-12-16)7-2-3-8(17-7)9-13-10(11)15-14-9/h2-5H,1H3,(H3,11,13,14,15).
What are the key properties of 5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-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 5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 163315993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).