2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine

C9H15N7 — CID 115366197

IUPAC2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
SMILESCC(C)(CN)CNc1ccc2nnnn2n1
InChIInChI=1S/C9H15N7/c1-9(2,5-10)6-11-7-3-4-8-12-14-15-16(8)13-7/h3-4H,5-6,10H2,1-2H3,(H,11,13)
InChIKeyZNQKBUYJRWIBJG-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.08
Rot. Bonds4

About 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine

2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine (PubChem CID 115366197) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
PubChem CID115366197
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
SMILESCC(C)(CN)CNc1ccc2nnnn2n1
InChIInChI=1S/C9H15N7/c1-9(2,5-10)6-11-7-3-4-8-12-14-15-16(8)13-7/h3-4H,5-6,10H2,1-2H3,(H,11,13)
InChIKeyZNQKBUYJRWIBJG-UHFFFAOYSA-N
XLogP-0.08
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 133312537
2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
CID 113334685
1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol
CID 113320128
N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
N-(2-methyl-2-morpholin-4-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 17449664
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-(1-methoxy-2-methylpropan-2-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 115606699
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 34009199

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine (CID 115366197) is 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine is CC(C)(CN)CNc1ccc2nnnn2n1.
What is the InChIKey of 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine?
The InChIKey is ZNQKBUYJRWIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-9(2,5-10)6-11-7-3-4-8-12-14-15-16(8)13-7/h3-4H,5-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine?
2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine has a molecular weight of 221.27 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 115366197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).