N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine

C12H20N4 — CID 62482439

IUPACN-[2-(azepan-1-yl)ethyl]pyridazin-3-amine
SMILESc1cnnc(NCCN2CCCCCC2)c1
InChIInChI=1S/C12H20N4/c1-2-4-10-16(9-3-1)11-8-13-12-6-5-7-14-15-12/h5-7H,1-4,8-11H2,(H,13,15)
InChIKeyJYPZOBSECCRDPX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.76
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine

N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine (PubChem CID 62482439) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]pyridazin-3-amine
PubChem CID62482439
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[2-(azepan-1-yl)ethyl]pyridazin-3-amine
SMILESc1cnnc(NCCN2CCCCCC2)c1
InChIInChI=1S/C12H20N4/c1-2-4-10-16(9-3-1)11-8-13-12-6-5-7-14-15-12/h5-7H,1-4,8-11H2,(H,13,15)
InChIKeyJYPZOBSECCRDPX-UHFFFAOYSA-N
XLogP1.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 113243711
N-[2-(azepan-1-yl)ethyl]-6-chloropyridin-2-amine
CID 107257793
6-chloro-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
CID 60674018
3-(2-piperidin-1-ylethyl)pyridazine
CID 154363673
2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 80832526
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
6-methoxy-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 63589886
N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872217
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133351386
N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 104626500
N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
CID 54807240

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine (CID 62482439) is N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine is c1cnnc(NCCN2CCCCCC2)c1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine?
The InChIKey is JYPZOBSECCRDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-4-10-16(9-3-1)11-8-13-12-6-5-7-14-15-12/h5-7H,1-4,8-11H2,(H,13,15).
What are the key properties of N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine?
N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 62482439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).