N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine

C15H22N6O — CID 71872273

IUPACN-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCCn1ccnc1CN1CCOC(CNc2cccnn2)C1
InChIInChI=1S/C15H22N6O/c1-2-21-7-6-16-15(21)12-20-8-9-22-13(11-20)10-17-14-4-3-5-18-19-14/h3-7,13H,2,8-12H2,1H3,(H,17,19)
InChIKeyXHQDJOYMDIIMAX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.01
Rot. Bonds6

About N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine

N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine (PubChem CID 71872273) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
PubChem CID71872273
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCCn1ccnc1CN1CCOC(CNc2cccnn2)C1
InChIInChI=1S/C15H22N6O/c1-2-21-7-6-16-15(21)12-20-8-9-22-13(11-20)10-17-14-4-3-5-18-19-14/h3-7,13H,2,8-12H2,1H3,(H,17,19)
InChIKeyXHQDJOYMDIIMAX-UHFFFAOYSA-N
XLogP1.01
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine (CID 71872273) is N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine is CCn1ccnc1CN1CCOC(CNc2cccnn2)C1.
What is the InChIKey of N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The InChIKey is XHQDJOYMDIIMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-2-21-7-6-16-15(21)12-20-8-9-22-13(11-20)10-17-14-4-3-5-18-19-14/h3-7,13H,2,8-12H2,1H3,(H,17,19).
What are the key properties of N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine?
N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine has a molecular weight of 302.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-ethylimidazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 71872273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).