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

C20H23N9O — CID 69436236

IUPAC2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1ccnc(C(C)N2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1
InChIInChI=1S/C20H23N9O/c1-13-5-6-22-15(12-13)14(2)27-7-9-28(10-8-27)19-24-18(21)29-20(25-19)23-17(26-29)16-4-3-11-30-16/h3-6,11-12,14H,7-10H2,1-2H3,(H2,21,23,24,25,26)
InChIKeyPHFFVSODITVEHL-UHFFFAOYSA-N
MW405.47 g/mol
LogP1.95
Rot. Bonds4

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

2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 69436236) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]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-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID69436236
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1ccnc(C(C)N2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1
InChIInChI=1S/C20H23N9O/c1-13-5-6-22-15(12-13)14(2)27-7-9-28(10-8-27)19-24-18(21)29-20(25-19)23-17(26-29)16-4-3-11-30-16/h3-6,11-12,14H,7-10H2,1-2H3,(H2,21,23,24,25,26)
InChIKeyPHFFVSODITVEHL-UHFFFAOYSA-N
XLogP1.95
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]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-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 69436236) is 2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]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-[1-(4-methyl-2-pyridinyl)ethyl]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-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Cc1ccnc(C(C)N2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is PHFFVSODITVEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O/c1-13-5-6-22-15(12-13)14(2)27-7-9-28(10-8-27)19-24-18(21)29-20(25-19)23-17(26-29)16-4-3-11-30-16/h3-6,11-12,14H,7-10H2,1-2H3,(H2,21,23,24,25,26).
What are the key properties of 2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 405.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-[1-(4-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 69436236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).