3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine

C17H22N6 — CID 122281528

IUPAC3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESCCc1cc(N2CCN(c3cc4c(nn3)CCC4)CC2)ncn1
InChIInChI=1S/C17H22N6/c1-2-14-11-16(19-12-18-14)22-6-8-23(9-7-22)17-10-13-4-3-5-15(13)20-21-17/h10-12H,2-9H2,1H3
InChIKeyVGEXQZDNELJUKE-UHFFFAOYSA-N
MW310.41 g/mol
LogP1.64
Rot. Bonds3

About 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine

3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine (PubChem CID 122281528) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
PubChem CID122281528
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
SMILESCCc1cc(N2CCN(c3cc4c(nn3)CCC4)CC2)ncn1
InChIInChI=1S/C17H22N6/c1-2-14-11-16(19-12-18-14)22-6-8-23(9-7-22)17-10-13-4-3-5-15(13)20-21-17/h10-12H,2-9H2,1H3
InChIKeyVGEXQZDNELJUKE-UHFFFAOYSA-N
XLogP1.64
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The IUPAC name of 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine (CID 122281528) is 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine.
What is the SMILES notation for 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The canonical SMILES for 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine is CCc1cc(N2CCN(c3cc4c(nn3)CCC4)CC2)ncn1.
What is the InChIKey of 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
The InChIKey is VGEXQZDNELJUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-2-14-11-16(19-12-18-14)22-6-8-23(9-7-22)17-10-13-4-3-5-15(13)20-21-17/h10-12H,2-9H2,1H3.
What are the key properties of 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine?
3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine has a molecular weight of 310.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine is sourced from PubChem (CID 122281528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).