(2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine

C8H14N4 — CID 104867606

IUPAC(2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCc1ccnnc1
InChIInChI=1S/C8H14N4/c1-7(4-9)10-5-8-2-3-11-12-6-8/h2-3,6-7,10H,4-5,9H2,1H3/t7-/m0/s1
InChIKeyKGFSYMKWTJEPOT-ZETCQYMHSA-N
MW166.23 g/mol
LogP-0.09
Rot. Bonds4

About (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine

(2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine (PubChem CID 104867606) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
PubChem CID104867606
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCc1ccnnc1
InChIInChI=1S/C8H14N4/c1-7(4-9)10-5-8-2-3-11-12-6-8/h2-3,6-7,10H,4-5,9H2,1H3/t7-/m0/s1
InChIKeyKGFSYMKWTJEPOT-ZETCQYMHSA-N
XLogP-0.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridazin-4-ylmethyl)butan-2-amine
CID 104670133
1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
CID 104670189
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine
CID 104670165
3-pyridazin-4-ylpropane-1,2-diamine
CID 165462937
(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
CID 104868163
(2S)-2-N-[(4-bromo-3-methylphenyl)methyl]propane-1,2-diamine
CID 104867673
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
2-amino-N-propan-2-yl-3-pyridazin-4-ylpropanamide
CID 165466186
2-pyridazin-4-ylethanamine;hydrochloride
CID 155896816
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine (CID 104867606) is (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine is C[C@@H](CN)NCc1ccnnc1.
What is the InChIKey of (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is KGFSYMKWTJEPOT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4/c1-7(4-9)10-5-8-2-3-11-12-6-8/h2-3,6-7,10H,4-5,9H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine?
(2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 166.23 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104867606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).