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

C19H21N9O — CID 11326769

IUPAC2-(furan-2-yl)-5-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1ncccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C19H21N9O/c1-13-14(4-2-6-21-13)12-26-7-9-27(10-8-26)18-23-17(20)28-19(24-18)22-16(25-28)15-5-3-11-29-15/h2-6,11H,7-10,12H2,1H3,(H2,20,22,23,24,25)
InChIKeyOKRIENOGRUNHAX-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.39
Rot. Bonds4

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

2-(furan-2-yl)-5-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11326769) has the molecular formula C19H21N9O and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-[(2-methyl-3-pyridinyl)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-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11326769
Molecular FormulaC19H21N9O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name2-(furan-2-yl)-5-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1ncccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C19H21N9O/c1-13-14(4-2-6-21-13)12-26-7-9-27(10-8-26)18-23-17(20)28-19(24-18)22-16(25-28)15-5-3-11-29-15/h2-6,11H,7-10,12H2,1H3,(H2,20,22,23,24,25)
InChIKeyOKRIENOGRUNHAX-UHFFFAOYSA-N
XLogP1.39
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-[(2-methyl-3-pyridinyl)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-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11326769) is 2-(furan-2-yl)-5-[4-[(2-methyl-3-pyridinyl)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-[(2-methyl-3-pyridinyl)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-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Cc1ncccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is OKRIENOGRUNHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O/c1-13-14(4-2-6-21-13)12-26-7-9-27(10-8-26)18-23-17(20)28-19(24-18)22-16(25-28)15-5-3-11-29-15/h2-6,11H,7-10,12H2,1H3,(H2,20,22,23,24,25).
What are the key properties of 2-(furan-2-yl)-5-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 391.44 g/mol, XLogP of 1.39, 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-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11326769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).