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

C17H20N10O — CID 11280440

IUPAC2-(furan-2-yl)-5-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1[nH]cnc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C17H20N10O/c1-11-12(20-10-19-11)9-25-4-6-26(7-5-25)16-22-15(18)27-17(23-16)21-14(24-27)13-3-2-8-28-13/h2-3,8,10H,4-7,9H2,1H3,(H,19,20)(H2,18,21,22,23,24)
InChIKeyHLMWKCMXNWJGGO-UHFFFAOYSA-N
MW380.42 g/mol
LogP0.72
Rot. Bonds4

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

2-(furan-2-yl)-5-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11280440) has the molecular formula C17H20N10O and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-[(5-methyl-1H-imidazol-4-yl)methyl]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-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11280440
Molecular FormulaC17H20N10O
Molecular Weight380.42 g/mol
Exact Mass380.18
IUPAC Name2-(furan-2-yl)-5-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1[nH]cnc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C17H20N10O/c1-11-12(20-10-19-11)9-25-4-6-26(7-5-25)16-22-15(18)27-17(23-16)21-14(24-27)13-3-2-8-28-13/h2-3,8,10H,4-7,9H2,1H3,(H,19,20)(H2,18,21,22,23,24)
InChIKeyHLMWKCMXNWJGGO-UHFFFAOYSA-N
XLogP0.72
TPSA130.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 50.72
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-[(5-methyl-1H-imidazol-4-yl)methyl]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-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11280440) is 2-(furan-2-yl)-5-[4-[(5-methyl-1H-imidazol-4-yl)methyl]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-[(5-methyl-1H-imidazol-4-yl)methyl]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-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Cc1[nH]cnc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is HLMWKCMXNWJGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N10O/c1-11-12(20-10-19-11)9-25-4-6-26(7-5-25)16-22-15(18)27-17(23-16)21-14(24-27)13-3-2-8-28-13/h2-3,8,10H,4-7,9H2,1H3,(H,19,20)(H2,18,21,22,23,24).
What are the key properties of 2-(furan-2-yl)-5-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 380.42 g/mol, XLogP of 0.72, 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-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11280440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).