N-pyridazin-3-ylazepan-4-amine

C10H16N4 — CID 107173783

IUPACN-pyridazin-3-ylazepan-4-amine
SMILESc1cnnc(NC2CCCNCC2)c1
InChIInChI=1S/C10H16N4/c1-3-9(5-8-11-6-1)13-10-4-2-7-12-14-10/h2,4,7,9,11H,1,3,5-6,8H2,(H,13,14)
InChIKeyNJTWNBPTHODHCD-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.03
Rot. Bonds2

About N-pyridazin-3-ylazepan-4-amine

N-pyridazin-3-ylazepan-4-amine (PubChem CID 107173783) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N-pyridazin-3-ylazepan-4-amine.

Molecular Properties

Compound NameN-pyridazin-3-ylazepan-4-amine
PubChem CID107173783
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN-pyridazin-3-ylazepan-4-amine
SMILESc1cnnc(NC2CCCNCC2)c1
InChIInChI=1S/C10H16N4/c1-3-9(5-8-11-6-1)13-10-4-2-7-12-14-10/h2,4,7,9,11H,1,3,5-6,8H2,(H,13,14)
InChIKeyNJTWNBPTHODHCD-UHFFFAOYSA-N
XLogP1.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentylpyridazin-3-amine
CID 62482227
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720
N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine
CID 62483877
N-piperidin-3-ylpyridin-2-amine
CID 63321128
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
N-pyrrolidin-3-ylpyridin-2-amine
CID 19814840
N-(5-methyl-2-pyridinyl)azepan-4-amine
CID 107173810
N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 69426435
N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
CID 107173809
N-(2-pyrrolidin-1-yl-3-pyridinyl)azepan-4-amine
CID 103981032
6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide
CID 107173544
N-(azepan-4-yl)-8-chloroquinolin-5-amine
CID 103981370

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-ylazepan-4-amine?
The IUPAC name of N-pyridazin-3-ylazepan-4-amine (CID 107173783) is N-pyridazin-3-ylazepan-4-amine.
What is the SMILES notation for N-pyridazin-3-ylazepan-4-amine?
The canonical SMILES for N-pyridazin-3-ylazepan-4-amine is c1cnnc(NC2CCCNCC2)c1.
What is the InChIKey of N-pyridazin-3-ylazepan-4-amine?
The InChIKey is NJTWNBPTHODHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-9(5-8-11-6-1)13-10-4-2-7-12-14-10/h2,4,7,9,11H,1,3,5-6,8H2,(H,13,14).
What are the key properties of N-pyridazin-3-ylazepan-4-amine?
N-pyridazin-3-ylazepan-4-amine has a molecular weight of 192.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-ylazepan-4-amine is sourced from PubChem (CID 107173783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).