(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine

C18H28N6 — CID 167985762

IUPAC(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine
SMILESC[C@@H](CN(C)CCCN(C)C)Nc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C18H28N6/c1-15(14-24(4)13-7-12-23(2)3)20-18-10-9-17(21-22-18)16-8-5-6-11-19-16/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyITZMTALNLGLHBF-HNNXBMFYSA-N
MW328.46 g/mol
LogP2.22
Rot. Bonds9

About (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine

(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine (PubChem CID 167985762) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine
PubChem CID167985762
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine
SMILESC[C@@H](CN(C)CCCN(C)C)Nc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C18H28N6/c1-15(14-24(4)13-7-12-23(2)3)20-18-10-9-17(21-22-18)16-8-5-6-11-19-16/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyITZMTALNLGLHBF-HNNXBMFYSA-N
XLogP2.22
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N',N'-dimethyl-N-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
CID 130251282
N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
CID 116970430
N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine
CID 178072210
N-[3-(dimethylamino)propyl]-4-fluoro-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(6-pyridin-2-ylpyridazin-3-yl)benzamide
CID 157230387
N-(6-methylheptan-2-yl)pyridin-2-amine
CID 61472531
2-[2-anilinopropyl(methyl)amino]ethanol
CID 10954782
propane;2-pyridin-2-ylpyridine
CID 158168510
N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109115961
N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-6-pyridin-2-ylpyridazin-3-amine
CID 166363589
3-pyridin-2-yl-6-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridazine
CID 59140943
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine?
The IUPAC name of (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine (CID 167985762) is (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine is C[C@@H](CN(C)CCCN(C)C)Nc1ccc(-c2ccccn2)nn1.
What is the InChIKey of (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine?
The InChIKey is ITZMTALNLGLHBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N6/c1-15(14-24(4)13-7-12-23(2)3)20-18-10-9-17(21-22-18)16-8-5-6-11-19-16/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine?
(2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine has a molecular weight of 328.46 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-(6-pyridin-2-ylpyridazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 167985762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).