6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

C20H21Cl2N9O — CID 69312242

IUPAC6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1nc2nc(-c3ccco3)nn2c(N)c1CCN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl2N9O/c21-12-10-14(22)19(25-11-12)30-7-5-29(6-8-30)4-3-13-16(23)26-20-27-18(15-2-1-9-32-15)28-31(20)17(13)24/h1-2,9-11H,3-8,24H2,(H2,23,26,27,28)
InChIKeyUDONCNBIJMCJQM-UHFFFAOYSA-N
MW474.36 g/mol
LogP2.62
Rot. Bonds5

About 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 69312242) has the molecular formula C20H21Cl2N9O and a molecular weight of 474.36 g/mol. Its IUPAC name is 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID69312242
Molecular FormulaC20H21Cl2N9O
Molecular Weight474.36 g/mol
Exact Mass473.12
IUPAC Name6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
SMILESNc1nc2nc(-c3ccco3)nn2c(N)c1CCN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl2N9O/c21-12-10-14(22)19(25-11-12)30-7-5-29(6-8-30)4-3-13-16(23)26-20-27-18(15-2-1-9-32-15)28-31(20)17(13)24/h1-2,9-11H,3-8,24H2,(H2,23,26,27,28)
InChIKeyUDONCNBIJMCJQM-UHFFFAOYSA-N
XLogP2.62
TPSA127.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine with MolForge

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Related Compounds

6-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69310906
10-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 25020612
5-[4-[(2,4-dichloro-3-pyridinyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11224613
5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11177363
6-(2,2-dimethoxyethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312099
2-(furan-2-yl)-5-[4-[(2,3,6-trifluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11774744
2-(furan-2-yl)-5-[4-[(2,4,6-trifluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;hydrochloride
CID 11408706
5-[3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169210560
5-[3-[[4-(4-chloro-2-pyridinyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169210507
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 55807755
7-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002420
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine (CID 69312242) is 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is Nc1nc2nc(-c3ccco3)nn2c(N)c1CCN1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is UDONCNBIJMCJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N9O/c21-12-10-14(22)19(25-11-12)30-7-5-29(6-8-30)4-3-13-16(23)26-20-27-18(15-2-1-9-32-15)28-31(20)17(13)24/h1-2,9-11H,3-8,24H2,(H2,23,26,27,28).
What are the key properties of 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine?
6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 474.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 69312242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).