N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

C11H14F2N6 — CID 146092004

IUPACN-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESFC1(F)CCCCC1CNc1ccc2nnnn2n1
InChIInChI=1S/C11H14F2N6/c12-11(13)6-2-1-3-8(11)7-14-9-4-5-10-15-17-18-19(10)16-9/h4-5,8H,1-3,6-7H2,(H,14,16)
InChIKeyHLGGWKZQGZAIBG-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.76
Rot. Bonds3

About N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 146092004) has the molecular formula C11H14F2N6 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID146092004
Molecular FormulaC11H14F2N6
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESFC1(F)CCCCC1CNc1ccc2nnnn2n1
InChIInChI=1S/C11H14F2N6/c12-11(13)6-2-1-3-8(11)7-14-9-4-5-10-15-17-18-19(10)16-9/h4-5,8H,1-3,6-7H2,(H,14,16)
InChIKeyHLGGWKZQGZAIBG-UHFFFAOYSA-N
XLogP1.76
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 146092004) is N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is FC1(F)CCCCC1CNc1ccc2nnnn2n1.
What is the InChIKey of N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is HLGGWKZQGZAIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6/c12-11(13)6-2-1-3-8(11)7-14-9-4-5-10-15-17-18-19(10)16-9/h4-5,8H,1-3,6-7H2,(H,14,16).
What are the key properties of N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 268.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclohexyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 146092004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).