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

C13H24N4O — CID 54994845

IUPAC3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol
SMILESCc1nnc(N(CCCO)C(C)C)c(CN)c1C
InChIInChI=1S/C13H24N4O/c1-9(2)17(6-5-7-18)13-12(8-14)10(3)11(4)15-16-13/h9,18H,5-8,14H2,1-4H3
InChIKeyCBNUYBAAOMHMHM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds6

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

3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol (PubChem CID 54994845) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol
PubChem CID54994845
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol
SMILESCc1nnc(N(CCCO)C(C)C)c(CN)c1C
InChIInChI=1S/C13H24N4O/c1-9(2)17(6-5-7-18)13-12(8-14)10(3)11(4)15-16-13/h9,18H,5-8,14H2,1-4H3
InChIKeyCBNUYBAAOMHMHM-UHFFFAOYSA-N
XLogP1.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol (CID 54994845) is 3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol is Cc1nnc(N(CCCO)C(C)C)c(CN)c1C.
What is the InChIKey of 3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol?
The InChIKey is CBNUYBAAOMHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)17(6-5-7-18)13-12(8-14)10(3)11(4)15-16-13/h9,18H,5-8,14H2,1-4H3.
What are the key properties of 3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol?
3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 54994845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).