1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol

C12H22N4O — CID 79384857

IUPAC1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol
SMILESCc1nnc(N(C)CC(C)(C)O)c(CN)c1C
InChIInChI=1S/C12H22N4O/c1-8-9(2)14-15-11(10(8)6-13)16(5)7-12(3,4)17/h17H,6-7,13H2,1-5H3
InChIKeyDHJCZQWWLLYZGM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.76
Rot. Bonds4

About 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol

1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79384857) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol
PubChem CID79384857
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol
SMILESCc1nnc(N(C)CC(C)(C)O)c(CN)c1C
InChIInChI=1S/C12H22N4O/c1-8-9(2)14-15-11(10(8)6-13)16(5)7-12(3,4)17/h17H,6-7,13H2,1-5H3
InChIKeyDHJCZQWWLLYZGM-UHFFFAOYSA-N
XLogP0.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol (CID 79384857) is 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol is Cc1nnc(N(C)CC(C)(C)O)c(CN)c1C.
What is the InChIKey of 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is DHJCZQWWLLYZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-9(2)14-15-11(10(8)6-13)16(5)7-12(3,4)17/h17H,6-7,13H2,1-5H3.
What are the key properties of 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol?
1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).