2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine

C13H23N5 — CID 61312903

IUPAC2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine
SMILESCc1ccc(N2CCN(CC(C)CN)CC2)nn1
InChIInChI=1S/C13H23N5/c1-11(9-14)10-17-5-7-18(8-6-17)13-4-3-12(2)15-16-13/h3-4,11H,5-10,14H2,1-2H3
InChIKeyMROFJWBNNSHPAA-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.50
Rot. Bonds4

About 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine

2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine (PubChem CID 61312903) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine
PubChem CID61312903
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine
SMILESCc1ccc(N2CCN(CC(C)CN)CC2)nn1
InChIInChI=1S/C13H23N5/c1-11(9-14)10-17-5-7-18(8-6-17)13-4-3-12(2)15-16-13/h3-4,11H,5-10,14H2,1-2H3
InChIKeyMROFJWBNNSHPAA-UHFFFAOYSA-N
XLogP0.50
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine (CID 61312903) is 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine is Cc1ccc(N2CCN(CC(C)CN)CC2)nn1.
What is the InChIKey of 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is MROFJWBNNSHPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(9-14)10-17-5-7-18(8-6-17)13-4-3-12(2)15-16-13/h3-4,11H,5-10,14H2,1-2H3.
What are the key properties of 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine?
2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 61312903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).