6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine

C14H25N5 — CID 175898419

IUPAC6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine
SMILESCc1cc(N)nnc1N1CCN(C(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C14H25N5/c1-10-8-12(15)16-17-13(10)18-6-7-19(11(2)9-18)14(3,4)5/h8,11H,6-7,9H2,1-5H3,(H2,15,16)/t11-/m0/s1
InChIKeyUJCUWELJXHZFMF-NSHDSACASA-N
MW263.39 g/mol
LogP1.68
Rot. Bonds1

About 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine

6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine (PubChem CID 175898419) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine
PubChem CID175898419
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine
SMILESCc1cc(N)nnc1N1CCN(C(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C14H25N5/c1-10-8-12(15)16-17-13(10)18-6-7-19(11(2)9-18)14(3,4)5/h8,11H,6-7,9H2,1-5H3,(H2,15,16)/t11-/m0/s1
InChIKeyUJCUWELJXHZFMF-NSHDSACASA-N
XLogP1.68
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine?
The IUPAC name of 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine (CID 175898419) is 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine.
What is the SMILES notation for 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine?
The canonical SMILES for 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine is Cc1cc(N)nnc1N1CCN(C(C)(C)C)[C@@H](C)C1.
What is the InChIKey of 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine?
The InChIKey is UJCUWELJXHZFMF-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N5/c1-10-8-12(15)16-17-13(10)18-6-7-19(11(2)9-18)14(3,4)5/h8,11H,6-7,9H2,1-5H3,(H2,15,16)/t11-/m0/s1.
What are the key properties of 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine?
6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine has a molecular weight of 263.39 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 175898419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).