3-N-propan-2-ylpyridazine-3,6-diamine

C7H12N4 — CID 59023967

IUPAC3-N-propan-2-ylpyridazine-3,6-diamine
SMILESCC(C)Nc1ccc(N)nn1
InChIInChI=1S/C7H12N4/c1-5(2)9-7-4-3-6(8)10-11-7/h3-5H,1-2H3,(H2,8,10)(H,9,11)
InChIKeyCNVZRAFHMFCTSL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.88
Rot. Bonds2

About 3-N-propan-2-ylpyridazine-3,6-diamine

3-N-propan-2-ylpyridazine-3,6-diamine (PubChem CID 59023967) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-N-propan-2-ylpyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-propan-2-ylpyridazine-3,6-diamine
PubChem CID59023967
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-N-propan-2-ylpyridazine-3,6-diamine
SMILESCC(C)Nc1ccc(N)nn1
InChIInChI=1S/C7H12N4/c1-5(2)9-7-4-3-6(8)10-11-7/h3-5H,1-2H3,(H2,8,10)(H,9,11)
InChIKeyCNVZRAFHMFCTSL-UHFFFAOYSA-N
XLogP0.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-propan-2-ylpyridazine-3,6-diamine?
The IUPAC name of 3-N-propan-2-ylpyridazine-3,6-diamine (CID 59023967) is 3-N-propan-2-ylpyridazine-3,6-diamine.
What is the SMILES notation for 3-N-propan-2-ylpyridazine-3,6-diamine?
The canonical SMILES for 3-N-propan-2-ylpyridazine-3,6-diamine is CC(C)Nc1ccc(N)nn1.
What is the InChIKey of 3-N-propan-2-ylpyridazine-3,6-diamine?
The InChIKey is CNVZRAFHMFCTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5(2)9-7-4-3-6(8)10-11-7/h3-5H,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 3-N-propan-2-ylpyridazine-3,6-diamine?
3-N-propan-2-ylpyridazine-3,6-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-ylpyridazine-3,6-diamine is sourced from PubChem (CID 59023967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).