[1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine

C10H16ClN5 — CID 80506495

IUPAC[1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(c2ccc(Cl)nn2)C(CN)C1
InChIInChI=1S/C10H16ClN5/c1-15-4-5-16(8(6-12)7-15)10-3-2-9(11)13-14-10/h2-3,8H,4-7,12H2,1H3
InChIKeyNTAITNJADUJFCH-UHFFFAOYSA-N
MW241.73 g/mol
LogP0.21
Rot. Bonds2

About [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine

[1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 80506495) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine
PubChem CID80506495
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name[1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(c2ccc(Cl)nn2)C(CN)C1
InChIInChI=1S/C10H16ClN5/c1-15-4-5-16(8(6-12)7-15)10-3-2-9(11)13-14-10/h2-3,8H,4-7,12H2,1H3
InChIKeyNTAITNJADUJFCH-UHFFFAOYSA-N
XLogP0.21
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine (CID 80506495) is [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine is CN1CCN(c2ccc(Cl)nn2)C(CN)C1.
What is the InChIKey of [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is NTAITNJADUJFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-15-4-5-16(8(6-12)7-15)10-3-2-9(11)13-14-10/h2-3,8H,4-7,12H2,1H3.
What are the key properties of [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine?
[1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 241.73 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80506495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).