N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine

C12H18N6 — CID 79033610

IUPACN-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC1(C)CCC(Nc2ccc3nnnn3n2)CC1
InChIInChI=1S/C12H18N6/c1-12(2)7-5-9(6-8-12)13-10-3-4-11-14-16-17-18(11)15-10/h3-4,9H,5-8H2,1-2H3,(H,13,15)
InChIKeyZXUCDDBPJYWGDC-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.90
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine

N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 79033610) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID79033610
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC1(C)CCC(Nc2ccc3nnnn3n2)CC1
InChIInChI=1S/C12H18N6/c1-12(2)7-5-9(6-8-12)13-10-3-4-11-14-16-17-18(11)15-10/h3-4,9H,5-8H2,1-2H3,(H,13,15)
InChIKeyZXUCDDBPJYWGDC-UHFFFAOYSA-N
XLogP1.90
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 79033610) is N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine is CC1(C)CCC(Nc2ccc3nnnn3n2)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is ZXUCDDBPJYWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-12(2)7-5-9(6-8-12)13-10-3-4-11-14-16-17-18(11)15-10/h3-4,9H,5-8H2,1-2H3,(H,13,15).
What are the key properties of N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 246.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 79033610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).