3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile

C11H15N5 — CID 80515322

IUPAC3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(CN)CC1
InChIInChI=1S/C11H15N5/c12-7-9-2-5-16(6-3-9)11-10(8-13)1-4-14-15-11/h1,4,9H,2-3,5-7,12H2
InChIKeyZZLJVQFTYWWEFG-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.52
Rot. Bonds2

About 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile

3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 80515322) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID80515322
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(CN)CC1
InChIInChI=1S/C11H15N5/c12-7-9-2-5-16(6-3-9)11-10(8-13)1-4-14-15-11/h1,4,9H,2-3,5-7,12H2
InChIKeyZZLJVQFTYWWEFG-UHFFFAOYSA-N
XLogP0.52
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile (CID 80515322) is 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile is N#Cc1ccnnc1N1CCC(CN)CC1.
What is the InChIKey of 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is ZZLJVQFTYWWEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-7-9-2-5-16(6-3-9)11-10(8-13)1-4-14-15-11/h1,4,9H,2-3,5-7,12H2.
What are the key properties of 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile?
3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 80515322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).