5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine

C27H30N12S2 — CID 157461606

IUPAC5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCN1CCN(c2ncc(-c3cccs3)c3ncnn23)CC1.c1csc(-c2cnc(N3CCNCC3)n3ncnc23)c1
InChIInChI=1S/C14H16N6S.C13H14N6S/c1-18-4-6-19(7-5-18)14-15-9-11(12-3-2-8-21-12)13-16-10-17-20(13)14;1-2-11(20-7-1)10-8-15-13(18-5-3-14-4-6-18)19-12(10)16-9-17-19/h2-3,8-10H,4-7H2,1H3;1-2,7-9,14H,3-6H2
InChIKeyBTZLQFHWTYMPDC-UHFFFAOYSA-N
MW586.76 g/mol
LogP2.87
Rot. Bonds4

About 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine

5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 157461606) has the molecular formula C27H30N12S2 and a molecular weight of 586.76 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID157461606
Molecular FormulaC27H30N12S2
Molecular Weight586.76 g/mol
Exact Mass586.22
IUPAC Name5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCN1CCN(c2ncc(-c3cccs3)c3ncnn23)CC1.c1csc(-c2cnc(N3CCNCC3)n3ncnc23)c1
InChIInChI=1S/C14H16N6S.C13H14N6S/c1-18-4-6-19(7-5-18)14-15-9-11(12-3-2-8-21-12)13-16-10-17-20(13)14;1-2-11(20-7-1)10-8-15-13(18-5-3-14-4-6-18)19-12(10)16-9-17-19/h2-3,8-10H,4-7H2,1H3;1-2,7-9,14H,3-6H2
InChIKeyBTZLQFHWTYMPDC-UHFFFAOYSA-N
XLogP2.87
TPSA107.91 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.76
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224366
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224565
N'-[3-(5-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546473
5-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122193381
N-(dithiophen-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86777756
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 12993048
10-[2-[4-(2,4-Difluorophenyl)piperazin-1-yl]ethyl]-4-thiophen-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 21363911
[(2S)-4,4-difluoro-1-[[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridin-4-yl]methyl]pyrrolidin-2-yl]methanamine
CID 135353524
3-fluoro-7-N-(pyridin-3-ylmethyl)-5-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 145500773
(2S)-2-N,2-N-diethyl-1-N-[[2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methyl]propane-1,2-diamine
CID 156042420
N-[1-(5-aminothiophen-2-yl)ethenyl]-6-(6-fluoro-3-pyridinyl)-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 156315048
N,1-dimethyl-N-[(3-methyl-2-thienyl)methyl]-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56917062

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 157461606) is 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine is CN1CCN(c2ncc(-c3cccs3)c3ncnn23)CC1.c1csc(-c2cnc(N3CCNCC3)n3ncnc23)c1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is BTZLQFHWTYMPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S.C13H14N6S/c1-18-4-6-19(7-5-18)14-15-9-11(12-3-2-8-21-12)13-16-10-17-20(13)14;1-2-11(20-7-1)10-8-15-13(18-5-3-14-4-6-18)19-12(10)16-9-17-19/h2-3,8-10H,4-7H2,1H3;1-2,7-9,14H,3-6H2.
What are the key properties of 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine?
5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 586.76 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine;5-piperazin-1-yl-8-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 157461606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).