6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C19H23N7 — CID 126911035

IUPAC6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ncc(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)cn1
InChIInChI=1S/C19H23N7/c1-13-20-10-14(11-21-13)12-25-8-6-16(7-9-25)19-23-22-18-5-4-17(15-2-3-15)24-26(18)19/h4-5,10-11,15-16H,2-3,6-9,12H2,1H3
InChIKeyMPVNZNAYEBOKGY-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.48
Rot. Bonds4

About 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126911035) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126911035
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ncc(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)cn1
InChIInChI=1S/C19H23N7/c1-13-20-10-14(11-21-13)12-25-8-6-16(7-9-25)19-23-22-18-5-4-17(15-2-3-15)24-26(18)19/h4-5,10-11,15-16H,2-3,6-9,12H2,1H3
InChIKeyMPVNZNAYEBOKGY-UHFFFAOYSA-N
XLogP2.48
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126911035) is 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ncc(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)cn1.
What is the InChIKey of 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MPVNZNAYEBOKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-13-20-10-14(11-21-13)12-25-8-6-16(7-9-25)19-23-22-18-5-4-17(15-2-3-15)24-26(18)19/h4-5,10-11,15-16H,2-3,6-9,12H2,1H3.
What are the key properties of 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 349.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126911035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).