N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine

C17H24N4 — CID 71916265

IUPACN'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
SMILESCN(CCNC1CCCc2c1cnn2C)c1ccccc1
InChIInChI=1S/C17H24N4/c1-20(14-7-4-3-5-8-14)12-11-18-16-9-6-10-17-15(16)13-19-21(17)2/h3-5,7-8,13,16,18H,6,9-12H2,1-2H3
InChIKeyZKNZDURBRUGDQZ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.52
Rot. Bonds5

About N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine

N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine (PubChem CID 71916265) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
PubChem CID71916265
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
SMILESCN(CCNC1CCCc2c1cnn2C)c1ccccc1
InChIInChI=1S/C17H24N4/c1-20(14-7-4-3-5-8-14)12-11-18-16-9-6-10-17-15(16)13-19-21(17)2/h3-5,7-8,13,16,18H,6,9-12H2,1-2H3
InChIKeyZKNZDURBRUGDQZ-UHFFFAOYSA-N
XLogP2.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
5-[2-(N-methylanilino)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 119035285
N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254555
1-methyl-N-(2-methylsulfinylethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115720859
1-methyl-N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115708690
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
CID 83117026
N-[2-(4-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254623
1-methyl-N-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 81343385
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
CID 43254668
1-methyl-N-(2-prop-2-ynylsulfanylethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 103902482

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine (CID 71916265) is N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine is CN(CCNC1CCCc2c1cnn2C)c1ccccc1.
What is the InChIKey of N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine?
The InChIKey is ZKNZDURBRUGDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20(14-7-4-3-5-8-14)12-11-18-16-9-6-10-17-15(16)13-19-21(17)2/h3-5,7-8,13,16,18H,6,9-12H2,1-2H3.
What are the key properties of N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine?
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 71916265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).