2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole

C12H20N4 — CID 83863227

IUPAC2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole
SMILESCn1nc2c(c1N1CCNCC1)CCCC2
InChIInChI=1S/C12H20N4/c1-15-12(16-8-6-13-7-9-16)10-4-2-3-5-11(10)14-15/h13H,2-9H2,1H3
InChIKeyLFEIAXRBWVZPKM-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.71
Rot. Bonds1

About 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole

2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole (PubChem CID 83863227) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole
PubChem CID83863227
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole
SMILESCn1nc2c(c1N1CCNCC1)CCCC2
InChIInChI=1S/C12H20N4/c1-15-12(16-8-6-13-7-9-16)10-4-2-3-5-11(10)14-15/h13H,2-9H2,1H3
InChIKeyLFEIAXRBWVZPKM-UHFFFAOYSA-N
XLogP0.71
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)morpholine
CID 83863104
11-methyl-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82270592
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 57425052
11-(3,5-dimethoxyphenyl)-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1434779
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 12602894
2-(4-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525353
N-butyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 12602903
4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 70578273
2-methyl-3-phenyl-4,5,6,7,8,9-hexahydrocycloocta[c]pyrazole
CID 146491613
3,4,7,8,9,10-hexahydro-2H-pyrazino[1,2-b]indazol-1-one
CID 44558568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole (CID 83863227) is 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole is Cn1nc2c(c1N1CCNCC1)CCCC2.
What is the InChIKey of 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole?
The InChIKey is LFEIAXRBWVZPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-12(16-8-6-13-7-9-16)10-4-2-3-5-11(10)14-15/h13H,2-9H2,1H3.
What are the key properties of 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole?
2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole has a molecular weight of 220.32 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 83863227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).