4-N-pyridazin-3-ylcyclohexane-1,4-diamine

C10H16N4 — CID 22591348

IUPAC4-N-pyridazin-3-ylcyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C10H16N4/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-14-10/h1-2,7-9H,3-6,11H2,(H,13,14)
InChIKeyNCJYAPJHSUSIRU-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.16
Rot. Bonds2

About 4-N-pyridazin-3-ylcyclohexane-1,4-diamine

4-N-pyridazin-3-ylcyclohexane-1,4-diamine (PubChem CID 22591348) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-N-pyridazin-3-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-pyridazin-3-ylcyclohexane-1,4-diamine
PubChem CID22591348
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-N-pyridazin-3-ylcyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C10H16N4/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-14-10/h1-2,7-9H,3-6,11H2,(H,13,14)
InChIKeyNCJYAPJHSUSIRU-UHFFFAOYSA-N
XLogP1.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-pyridazin-3-ylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-pyridazin-3-ylcyclohexane-1,4-diamine (CID 22591348) is 4-N-pyridazin-3-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-pyridazin-3-ylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-pyridazin-3-ylcyclohexane-1,4-diamine is NC1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 4-N-pyridazin-3-ylcyclohexane-1,4-diamine?
The InChIKey is NCJYAPJHSUSIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-14-10/h1-2,7-9H,3-6,11H2,(H,13,14).
What are the key properties of 4-N-pyridazin-3-ylcyclohexane-1,4-diamine?
4-N-pyridazin-3-ylcyclohexane-1,4-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pyridazin-3-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 22591348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).