2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C16H18N10O — CID 11337533

IUPAC2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3cnc[nH]3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H18N10O/c17-14-21-15(22-16-20-13(23-26(14)16)12-2-1-7-27-12)25-5-3-24(4-6-25)9-11-8-18-10-19-11/h1-2,7-8,10H,3-6,9H2,(H,18,19)(H2,17,20,21,22,23)
InChIKeyQJFWMJZCPRJEQV-UHFFFAOYSA-N
MW366.39 g/mol
LogP0.41
Rot. Bonds4

About 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11337533) has the molecular formula C16H18N10O and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11337533
Molecular FormulaC16H18N10O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3cnc[nH]3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C16H18N10O/c17-14-21-15(22-16-20-13(23-26(14)16)12-2-1-7-27-12)25-5-3-24(4-6-25)9-11-8-18-10-19-11/h1-2,7-8,10H,3-6,9H2,(H,18,19)(H2,17,20,21,22,23)
InChIKeyQJFWMJZCPRJEQV-UHFFFAOYSA-N
XLogP0.41
TPSA130.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11337533) is 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCN(Cc3cnc[nH]3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is QJFWMJZCPRJEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N10O/c17-14-21-15(22-16-20-13(23-26(14)16)12-2-1-7-27-12)25-5-3-24(4-6-25)9-11-8-18-10-19-11/h1-2,7-8,10H,3-6,9H2,(H,18,19)(H2,17,20,21,22,23).
What are the key properties of 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 366.39 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11337533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).