trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine

C10H14Cl2N4 — CID 102738784

IUPACtrans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4/c11-9-5-8(10(12)16-15-9)14-7-4-2-1-3-6(7)13/h5-7H,1-4,13H2,(H,14,15)/t6-,7-/m1/s1
InChIKeyUSYSQJCWVIKFDO-RNFRBKRXSA-N
MW261.16 g/mol
LogP2.47
Rot. Bonds2

About trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine (PubChem CID 102738784) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine
PubChem CID102738784
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Nametrans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4/c11-9-5-8(10(12)16-15-9)14-7-4-2-1-3-6(7)13/h5-7H,1-4,13H2,(H,14,15)/t6-,7-/m1/s1
InChIKeyUSYSQJCWVIKFDO-RNFRBKRXSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine (CID 102738784) is trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1Nc1cc(Cl)nnc1Cl.
What is the InChIKey of trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is USYSQJCWVIKFDO-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H14Cl2N4/c11-9-5-8(10(12)16-15-9)14-7-4-2-1-3-6(7)13/h5-7H,1-4,13H2,(H,14,15)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine has a molecular weight of 261.16 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 102738784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).