N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

C16H20N6O — CID 134802598

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CC1
InChIInChI=1S/C16H20N6O/c23-16(11-3-4-11)17-12-7-8-21(9-12)14-6-5-13-18-19-15(10-1-2-10)22(13)20-14/h5-6,10-12H,1-4,7-9H2,(H,17,23)
InChIKeyUQLMKVNBGIJGMD-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.11
Rot. Bonds4

About N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 134802598) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID134802598
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CC1
InChIInChI=1S/C16H20N6O/c23-16(11-3-4-11)17-12-7-8-21(9-12)14-6-5-13-18-19-15(10-1-2-10)22(13)20-14/h5-6,10-12H,1-4,7-9H2,(H,17,23)
InChIKeyUQLMKVNBGIJGMD-UHFFFAOYSA-N
XLogP1.11
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 134802598) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CC1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is UQLMKVNBGIJGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16(11-3-4-11)17-12-7-8-21(9-12)14-6-5-13-18-19-15(10-1-2-10)22(13)20-14/h5-6,10-12H,1-4,7-9H2,(H,17,23).
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134802598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).