(6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone

C13H21N5O — CID 62186658

IUPAC(6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2ccc(N)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-13(2,3)18-8-6-17(7-9-18)12(19)10-4-5-11(14)16-15-10/h4-5H,6-9H2,1-3H3,(H2,14,16)
InChIKeyDWKQHCXKWDORKZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.62
Rot. Bonds1

About (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone

(6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 62186658) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID62186658
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2ccc(N)nn2)CC1
InChIInChI=1S/C13H21N5O/c1-13(2,3)18-8-6-17(7-9-18)12(19)10-4-5-11(14)16-15-10/h4-5H,6-9H2,1-3H3,(H2,14,16)
InChIKeyDWKQHCXKWDORKZ-UHFFFAOYSA-N
XLogP0.62
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-aminopyridazin-3-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 55042129
(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 103916743
(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158606
(4-amino-1H-pyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 63102700
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63175300
2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696809
(4-bromo-1H-pyrrol-2-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 61244887
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 115413028
(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62083202
(4-tert-butylpiperazin-1-yl)-(2-chloro-4-pyridinyl)methanone
CID 61073425

Frequently Asked Questions

What is the IUPAC name of (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone (CID 62186658) is (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone is CC(C)(C)N1CCN(C(=O)c2ccc(N)nn2)CC1.
What is the InChIKey of (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is DWKQHCXKWDORKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-13(2,3)18-8-6-17(7-9-18)12(19)10-4-5-11(14)16-15-10/h4-5H,6-9H2,1-3H3,(H2,14,16).
What are the key properties of (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone?
(6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 62186658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).