6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine

C9H12F2N4 — CID 167506654

IUPAC6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine
SMILESCNc1nnc(C(F)(F)C2CC2)cc1N
InChIInChI=1S/C9H12F2N4/c1-13-8-6(12)4-7(14-15-8)9(10,11)5-2-3-5/h4-5H,2-3H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBCUVPBXKEHXZLX-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.60
Rot. Bonds3

About 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine

6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine (PubChem CID 167506654) has the molecular formula C9H12F2N4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine.

Molecular Properties

Compound Name6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine
PubChem CID167506654
Molecular FormulaC9H12F2N4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine
SMILESCNc1nnc(C(F)(F)C2CC2)cc1N
InChIInChI=1S/C9H12F2N4/c1-13-8-6(12)4-7(14-15-8)9(10,11)5-2-3-5/h4-5H,2-3H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBCUVPBXKEHXZLX-UHFFFAOYSA-N
XLogP1.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine?
The IUPAC name of 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine (CID 167506654) is 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine.
What is the SMILES notation for 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine?
The canonical SMILES for 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine is CNc1nnc(C(F)(F)C2CC2)cc1N.
What is the InChIKey of 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine?
The InChIKey is BCUVPBXKEHXZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4/c1-13-8-6(12)4-7(14-15-8)9(10,11)5-2-3-5/h4-5H,2-3H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine?
6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine has a molecular weight of 214.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine is sourced from PubChem (CID 167506654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).