5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine

C14H17ClN6 — CID 71850443

IUPAC5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine
SMILESNc1cnnc(N2CCN(Cc3ccccn3)CC2)c1Cl
InChIInChI=1S/C14H17ClN6/c15-13-12(16)9-18-19-14(13)21-7-5-20(6-8-21)10-11-3-1-2-4-17-11/h1-4,9H,5-8,10H2,(H2,16,19)
InChIKeyZXZHEBWICOXXJV-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.43
Rot. Bonds3

About 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine

5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine (PubChem CID 71850443) has the molecular formula C14H17ClN6 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine.

Molecular Properties

Compound Name5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine
PubChem CID71850443
Molecular FormulaC14H17ClN6
Molecular Weight304.78 g/mol
Exact Mass304.12
IUPAC Name5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine
SMILESNc1cnnc(N2CCN(Cc3ccccn3)CC2)c1Cl
InChIInChI=1S/C14H17ClN6/c15-13-12(16)9-18-19-14(13)21-7-5-20(6-8-21)10-11-3-1-2-4-17-11/h1-4,9H,5-8,10H2,(H2,16,19)
InChIKeyZXZHEBWICOXXJV-UHFFFAOYSA-N
XLogP1.43
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19627843
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519428
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 171327392
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
[3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine
CID 80505607
[[3-chloro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]methylideneamino]thiourea
CID 76571919
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
2-chloro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzonitrile
CID 71978279

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine?
The IUPAC name of 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine (CID 71850443) is 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine.
What is the SMILES notation for 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine?
The canonical SMILES for 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine is Nc1cnnc(N2CCN(Cc3ccccn3)CC2)c1Cl.
What is the InChIKey of 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine?
The InChIKey is ZXZHEBWICOXXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c15-13-12(16)9-18-19-14(13)21-7-5-20(6-8-21)10-11-3-1-2-4-17-11/h1-4,9H,5-8,10H2,(H2,16,19).
What are the key properties of 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine?
5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine has a molecular weight of 304.78 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine is sourced from PubChem (CID 71850443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).