[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone

C11H14N6O2 — CID 14450395

IUPAC[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESNc1nc(N2CCN(C(=O)c3ccco3)CC2)n[nH]1
InChIInChI=1S/C11H14N6O2/c12-10-13-11(15-14-10)17-5-3-16(4-6-17)9(18)8-2-1-7-19-8/h1-2,7H,3-6H2,(H3,12,13,14,15)
InChIKeyLTVVZHKUGOXGFL-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.06
Rot. Bonds2

About [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 14450395) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID14450395
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESNc1nc(N2CCN(C(=O)c3ccco3)CC2)n[nH]1
InChIInChI=1S/C11H14N6O2/c12-10-13-11(15-14-10)17-5-3-16(4-6-17)9(18)8-2-1-7-19-8/h1-2,7H,3-6H2,(H3,12,13,14,15)
InChIKeyLTVVZHKUGOXGFL-UHFFFAOYSA-N
XLogP-0.06
TPSA104.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 14450395) is [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone is Nc1nc(N2CCN(C(=O)c3ccco3)CC2)n[nH]1.
What is the InChIKey of [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LTVVZHKUGOXGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c12-10-13-11(15-14-10)17-5-3-16(4-6-17)9(18)8-2-1-7-19-8/h1-2,7H,3-6H2,(H3,12,13,14,15).
What are the key properties of [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 262.27 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 14450395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).