N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

C15H22N6 — CID 56778221

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCCn1ccnc1CNCC1CCCN1c1cccnn1
InChIInChI=1S/C15H22N6/c1-2-20-10-8-17-15(20)12-16-11-13-5-4-9-21(13)14-6-3-7-18-19-14/h3,6-8,10,13,16H,2,4-5,9,11-12H2,1H3
InChIKeyRHXLZJJBYUMGQZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.45
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (PubChem CID 56778221) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
PubChem CID56778221
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCCn1ccnc1CNCC1CCCN1c1cccnn1
InChIInChI=1S/C15H22N6/c1-2-20-10-8-17-15(20)12-16-11-13-5-4-9-21(13)14-6-3-7-18-19-14/h3,6-8,10,13,16H,2,4-5,9,11-12H2,1H3
InChIKeyRHXLZJJBYUMGQZ-UHFFFAOYSA-N
XLogP1.45
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (CID 56778221) is N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is CCn1ccnc1CNCC1CCCN1c1cccnn1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The InChIKey is RHXLZJJBYUMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-20-10-8-17-15(20)12-16-11-13-5-4-9-21(13)14-6-3-7-18-19-14/h3,6-8,10,13,16H,2,4-5,9,11-12H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 56778221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).