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

C20H23N9O — CID 11486549

IUPAC5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1ccnc(C)c1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C20H23N9O/c1-13-5-6-22-14(2)15(13)12-27-7-9-28(10-8-27)19-24-18(21)29-20(25-19)23-17(26-29)16-4-3-11-30-16/h3-6,11H,7-10,12H2,1-2H3,(H2,21,23,24,25,26)
InChIKeyBLFIZZXKTHAQAK-UHFFFAOYSA-N
MW405.47 g/mol
LogP1.70
Rot. Bonds4

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

5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11486549) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11486549
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1ccnc(C)c1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C20H23N9O/c1-13-5-6-22-14(2)15(13)12-27-7-9-28(10-8-27)19-24-18(21)29-20(25-19)23-17(26-29)16-4-3-11-30-16/h3-6,11H,7-10,12H2,1-2H3,(H2,21,23,24,25,26)
InChIKeyBLFIZZXKTHAQAK-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-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 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11486549) is 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Cc1ccnc(C)c1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1.
What is the InChIKey of 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is BLFIZZXKTHAQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O/c1-13-5-6-22-14(2)15(13)12-27-7-9-28(10-8-27)19-24-18(21)29-20(25-19)23-17(26-29)16-4-3-11-30-16/h3-6,11H,7-10,12H2,1-2H3,(H2,21,23,24,25,26).
What are the key properties of 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-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 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,4-dimethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11486549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).