4-N-methylpyridazine-3,4-diamine

C5H8N4 — CID 15573993

IUPAC4-N-methylpyridazine-3,4-diamine
SMILESCNc1ccnnc1N
InChIInChI=1S/C5H8N4/c1-7-4-2-3-8-9-5(4)6/h2-3H,1H3,(H2,6,9)(H,7,8)
InChIKeyIEBSFRRODKIRBV-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.10
Rot. Bonds1

About 4-N-methylpyridazine-3,4-diamine

4-N-methylpyridazine-3,4-diamine (PubChem CID 15573993) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 4-N-methylpyridazine-3,4-diamine.

Molecular Properties

Compound Name4-N-methylpyridazine-3,4-diamine
PubChem CID15573993
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name4-N-methylpyridazine-3,4-diamine
SMILESCNc1ccnnc1N
InChIInChI=1S/C5H8N4/c1-7-4-2-3-8-9-5(4)6/h2-3H,1H3,(H2,6,9)(H,7,8)
InChIKeyIEBSFRRODKIRBV-UHFFFAOYSA-N
XLogP0.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
CID 58227207
N-cyclopentyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227216
N-cyclopentyl-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227242
N-cyclopentyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227337
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
CID 67087450
5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
CID 58227158
N-butyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227362
N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227385
N-methylpyridazin-3-amine
CID 19831906
N1-(pyridazin-3-yl)ethane-1,2-diamine
CID 22118660
N-methylpyridazin-4-amine
CID 23080684
N-ethylpyridazin-4-amine
CID 68802730

Frequently Asked Questions

What is the IUPAC name of 4-N-methylpyridazine-3,4-diamine?
The IUPAC name of 4-N-methylpyridazine-3,4-diamine (CID 15573993) is 4-N-methylpyridazine-3,4-diamine.
What is the SMILES notation for 4-N-methylpyridazine-3,4-diamine?
The canonical SMILES for 4-N-methylpyridazine-3,4-diamine is CNc1ccnnc1N.
What is the InChIKey of 4-N-methylpyridazine-3,4-diamine?
The InChIKey is IEBSFRRODKIRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-7-4-2-3-8-9-5(4)6/h2-3H,1H3,(H2,6,9)(H,7,8).
What are the key properties of 4-N-methylpyridazine-3,4-diamine?
4-N-methylpyridazine-3,4-diamine has a molecular weight of 124.15 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylpyridazine-3,4-diamine is sourced from PubChem (CID 15573993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).