3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine

C13H21ClN4 — CID 117105492

IUPAC3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
SMILESCC(C)N1CCC(Cc2cc(N)c(Cl)nn2)CC1
InChIInChI=1S/C13H21ClN4/c1-9(2)18-5-3-10(4-6-18)7-11-8-12(15)13(14)17-16-11/h8-10H,3-7H2,1-2H3,(H2,15,16)
InChIKeyGRQFIBBIWDAPIM-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.38
Rot. Bonds3

About 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine

3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine (PubChem CID 117105492) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
PubChem CID117105492
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
SMILESCC(C)N1CCC(Cc2cc(N)c(Cl)nn2)CC1
InChIInChI=1S/C13H21ClN4/c1-9(2)18-5-3-10(4-6-18)7-11-8-12(15)13(14)17-16-11/h8-10H,3-7H2,1-2H3,(H2,15,16)
InChIKeyGRQFIBBIWDAPIM-UHFFFAOYSA-N
XLogP2.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine?
The IUPAC name of 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine (CID 117105492) is 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine is CC(C)N1CCC(Cc2cc(N)c(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine?
The InChIKey is GRQFIBBIWDAPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9(2)18-5-3-10(4-6-18)7-11-8-12(15)13(14)17-16-11/h8-10H,3-7H2,1-2H3,(H2,15,16).
What are the key properties of 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine?
3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine is sourced from PubChem (CID 117105492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).