6-chloro-4-propan-2-ylpyridazin-3-amine

C7H10ClN3 — CID 90133627

IUPAC6-chloro-4-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cc(Cl)nnc1N
InChIInChI=1S/C7H10ClN3/c1-4(2)5-3-6(8)10-11-7(5)9/h3-4H,1-2H3,(H2,9,11)
InChIKeyMRBGNDNLRKFMHJ-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.84
Rot. Bonds1

About 6-chloro-4-propan-2-ylpyridazin-3-amine

6-chloro-4-propan-2-ylpyridazin-3-amine (PubChem CID 90133627) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 6-chloro-4-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4-propan-2-ylpyridazin-3-amine
PubChem CID90133627
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name6-chloro-4-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cc(Cl)nnc1N
InChIInChI=1S/C7H10ClN3/c1-4(2)5-3-6(8)10-11-7(5)9/h3-4H,1-2H3,(H2,9,11)
InChIKeyMRBGNDNLRKFMHJ-UHFFFAOYSA-N
XLogP1.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-propan-2-ylpyridazin-3-amine?
The IUPAC name of 6-chloro-4-propan-2-ylpyridazin-3-amine (CID 90133627) is 6-chloro-4-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-4-propan-2-ylpyridazin-3-amine?
The canonical SMILES for 6-chloro-4-propan-2-ylpyridazin-3-amine is CC(C)c1cc(Cl)nnc1N.
What is the InChIKey of 6-chloro-4-propan-2-ylpyridazin-3-amine?
The InChIKey is MRBGNDNLRKFMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-4(2)5-3-6(8)10-11-7(5)9/h3-4H,1-2H3,(H2,9,11).
What are the key properties of 6-chloro-4-propan-2-ylpyridazin-3-amine?
6-chloro-4-propan-2-ylpyridazin-3-amine has a molecular weight of 171.63 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 90133627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).