N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H24N6 — CID 164626006

IUPACN-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(N(C)CC3CCC(N)CC3)nn12
InChIInChI=1S/C15H24N6/c1-3-13-17-18-14-8-9-15(19-21(13)14)20(2)10-11-4-6-12(16)7-5-11/h8-9,11-12H,3-7,10,16H2,1-2H3
InChIKeyBRYGXEZJBKZFRT-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.64
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 164626006) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID164626006
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(N(C)CC3CCC(N)CC3)nn12
InChIInChI=1S/C15H24N6/c1-3-13-17-18-14-8-9-15(19-21(13)14)20(2)10-11-4-6-12(16)7-5-11/h8-9,11-12H,3-7,10,16H2,1-2H3
InChIKeyBRYGXEZJBKZFRT-UHFFFAOYSA-N
XLogP1.64
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 164626006) is N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nnc2ccc(N(C)CC3CCC(N)CC3)nn12.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is BRYGXEZJBKZFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-13-17-18-14-8-9-15(19-21(13)14)20(2)10-11-4-6-12(16)7-5-11/h8-9,11-12H,3-7,10,16H2,1-2H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 288.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 164626006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).