6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine

C14H24N4 — CID 164635724

IUPAC6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine
SMILESCCCN1CC[C@H](Nc2ccc(C(C)C)nn2)C1
InChIInChI=1S/C14H24N4/c1-4-8-18-9-7-12(10-18)15-14-6-5-13(11(2)3)16-17-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyFWZDKLYSZQTPKK-LBPRGKRZSA-N
MW248.37 g/mol
LogP2.50
Rot. Bonds5

About 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine

6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine (PubChem CID 164635724) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine
PubChem CID164635724
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine
SMILESCCCN1CC[C@H](Nc2ccc(C(C)C)nn2)C1
InChIInChI=1S/C14H24N4/c1-4-8-18-9-7-12(10-18)15-14-6-5-13(11(2)3)16-17-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyFWZDKLYSZQTPKK-LBPRGKRZSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,4S)-2-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462088
N-ethyl-6-methylpyridazin-3-amine
CID 52092805
N,N-Dimethyl-N''-(4-methyl-6-phenyl-pyridazin-3-yl)-ethane-1,2-diamine
CID 6410805
N,N-Diethyl-N''-(4-methyl-6-phenyl-pyridazin-3-yl)-ethane-1,2-diamine
CID 6410807
[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethyl]-(5-methyl-6-phenyl-pyridazin-3-yl)-amine
CID 11723664
(+/-)-N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225102
N-ethyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225103
(4-Methyl-6-phenyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)-amine; hydrochloride
CID 3088563
N*2*,N*2*-Diethyl-2-methyl-N*1*-(6-phenyl-5-propyl-pyridazin-3-yl)-propane-1,2-diamine
CID 9905964
N*1*-(5-Cyclopropyl-6-phenyl-pyridazin-3-yl)-N*2*,N*2*-diethyl-2-methyl-propane-1,2-diamine
CID 15678727
1,3-Propanediamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, hydrate
CID 6410650
1,2-Ethanediamine, N-(6-phenyl-3-pyridazinyl)-, dihydrochloride
CID 6410656

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine (CID 164635724) is 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine is CCCN1CC[C@H](Nc2ccc(C(C)C)nn2)C1.
What is the InChIKey of 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine?
The InChIKey is FWZDKLYSZQTPKK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-8-18-9-7-12(10-18)15-14-6-5-13(11(2)3)16-17-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine?
6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 164635724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).