N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine

C13H20N4 — CID 117104569

IUPACN-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine
SMILESc1c(NCC2CCCC2)nnc2c1CCNC2
InChIInChI=1S/C13H20N4/c1-2-4-10(3-1)8-15-13-7-11-5-6-14-9-12(11)16-17-13/h7,10,14H,1-6,8-9H2,(H,15,17)
InChIKeyDNNZISAHSHNVBH-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.72
Rot. Bonds3

About N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine

N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine (PubChem CID 117104569) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine
PubChem CID117104569
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine
SMILESc1c(NCC2CCCC2)nnc2c1CCNC2
InChIInChI=1S/C13H20N4/c1-2-4-10(3-1)8-15-13-7-11-5-6-14-9-12(11)16-17-13/h7,10,14H,1-6,8-9H2,(H,15,17)
InChIKeyDNNZISAHSHNVBH-UHFFFAOYSA-N
XLogP1.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine?
The IUPAC name of N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine (CID 117104569) is N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine is c1c(NCC2CCCC2)nnc2c1CCNC2.
What is the InChIKey of N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine?
The InChIKey is DNNZISAHSHNVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-4-10(3-1)8-15-13-7-11-5-6-14-9-12(11)16-17-13/h7,10,14H,1-6,8-9H2,(H,15,17).
What are the key properties of N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine?
N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 117104569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).