N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C11H22N6 — CID 83012078

IUPACN-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2cnn(C)c2)CC1
InChIInChI=1S/C11H22N6/c1-15-3-5-17(6-4-15)14-11(7-12)10-8-13-16(2)9-10/h8-9,11,14H,3-7,12H2,1-2H3
InChIKeyJCUUOSRCPHZCJO-UHFFFAOYSA-N
MW238.34 g/mol
LogP-0.83
Rot. Bonds4

About N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 83012078) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID83012078
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC NameN-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2cnn(C)c2)CC1
InChIInChI=1S/C11H22N6/c1-15-3-5-17(6-4-15)14-11(7-12)10-8-13-16(2)9-10/h8-9,11,14H,3-7,12H2,1-2H3
InChIKeyJCUUOSRCPHZCJO-UHFFFAOYSA-N
XLogP-0.83
TPSA62.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65376288
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011011
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011981
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855
N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 114544603
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877
N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65379188
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 106173235
1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine
CID 105228420

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 83012078) is N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CN1CCN(NC(CN)c2cnn(C)c2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is JCUUOSRCPHZCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-15-3-5-17(6-4-15)14-11(7-12)10-8-13-16(2)9-10/h8-9,11,14H,3-7,12H2,1-2H3.
What are the key properties of N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 238.34 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83012078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).