[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone

C17H21N5O2 — CID 118741079

IUPAC[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
SMILESCC1c2ncc(COCC3CC3)n2CCN1C(=O)c1ccnnc1
InChIInChI=1S/C17H21N5O2/c1-12-16-18-9-15(11-24-10-13-2-3-13)22(16)7-6-21(12)17(23)14-4-5-19-20-8-14/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
InChIKeySMCNSRAJITWFLV-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.82
Rot. Bonds5

About [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone

[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone (PubChem CID 118741079) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
PubChem CID118741079
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
SMILESCC1c2ncc(COCC3CC3)n2CCN1C(=O)c1ccnnc1
InChIInChI=1S/C17H21N5O2/c1-12-16-18-9-15(11-24-10-13-2-3-13)22(16)7-6-21(12)17(23)14-4-5-19-20-8-14/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
InChIKeySMCNSRAJITWFLV-UHFFFAOYSA-N
XLogP1.82
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone (CID 118741079) is [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone is CC1c2ncc(COCC3CC3)n2CCN1C(=O)c1ccnnc1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
The InChIKey is SMCNSRAJITWFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-16-18-9-15(11-24-10-13-2-3-13)22(16)7-6-21(12)17(23)14-4-5-19-20-8-14/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone has a molecular weight of 327.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 118741079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).