5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one

C14H19N5O — CID 103221754

IUPAC5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
SMILESCc1nccn1CCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C14H19N5O/c1-11-15-4-5-18(11)6-7-19-14(20)8-13(10-17-19)16-9-12-2-3-12/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3
InChIKeyHBQKRBZDXMNMAC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.27
Rot. Bonds6

About 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one

5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one (PubChem CID 103221754) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
PubChem CID103221754
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
SMILESCc1nccn1CCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C14H19N5O/c1-11-15-4-5-18(11)6-7-19-14(20)8-13(10-17-19)16-9-12-2-3-12/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3
InChIKeyHBQKRBZDXMNMAC-UHFFFAOYSA-N
XLogP1.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one (CID 103221754) is 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one is Cc1nccn1CCn1ncc(NCC2CC2)cc1=O.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one?
The InChIKey is HBQKRBZDXMNMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-15-4-5-18(11)6-7-19-14(20)8-13(10-17-19)16-9-12-2-3-12/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3.
What are the key properties of 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one?
5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 103221754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).