1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane

C16H24N6 — CID 71871109

IUPAC1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane
SMILESCCCN1CCCN(c2ccc(-n3ccc(C)n3)nn2)CC1
InChIInChI=1S/C16H24N6/c1-3-8-20-9-4-10-21(13-12-20)15-5-6-16(18-17-15)22-11-7-14(2)19-22/h5-7,11H,3-4,8-10,12-13H2,1-2H3
InChIKeyQRJONUBSHMUDGD-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.89
Rot. Bonds4

About 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane

1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane (PubChem CID 71871109) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane
PubChem CID71871109
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane
SMILESCCCN1CCCN(c2ccc(-n3ccc(C)n3)nn2)CC1
InChIInChI=1S/C16H24N6/c1-3-8-20-9-4-10-21(13-12-20)15-5-6-16(18-17-15)22-11-7-14(2)19-22/h5-7,11H,3-4,8-10,12-13H2,1-2H3
InChIKeyQRJONUBSHMUDGD-UHFFFAOYSA-N
XLogP1.89
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane?
The IUPAC name of 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane (CID 71871109) is 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane.
What is the SMILES notation for 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane?
The canonical SMILES for 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane is CCCN1CCCN(c2ccc(-n3ccc(C)n3)nn2)CC1.
What is the InChIKey of 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane?
The InChIKey is QRJONUBSHMUDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-3-8-20-9-4-10-21(13-12-20)15-5-6-16(18-17-15)22-11-7-14(2)19-22/h5-7,11H,3-4,8-10,12-13H2,1-2H3.
What are the key properties of 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane?
1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane has a molecular weight of 300.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-4-propyl-1,4-diazepane is sourced from PubChem (CID 71871109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).