N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide

C9H13N7O — CID 112727895

IUPACN,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
SMILESCC(Nc1ccc2nnnn2n1)C(=O)N(C)C
InChIInChI=1S/C9H13N7O/c1-6(9(17)15(2)3)10-7-4-5-8-11-13-14-16(8)12-7/h4-6H,1-3H3,(H,10,12)
InChIKeyUMHUXNCPMLDSRS-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.59
Rot. Bonds3

About N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide

N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide (PubChem CID 112727895) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
PubChem CID112727895
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
SMILESCC(Nc1ccc2nnnn2n1)C(=O)N(C)C
InChIInChI=1S/C9H13N7O/c1-6(9(17)15(2)3)10-7-4-5-8-11-13-14-16(8)12-7/h4-6H,1-3H3,(H,10,12)
InChIKeyUMHUXNCPMLDSRS-UHFFFAOYSA-N
XLogP-0.59
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide?
The IUPAC name of N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide (CID 112727895) is N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide?
The canonical SMILES for N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide is CC(Nc1ccc2nnnn2n1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide?
The InChIKey is UMHUXNCPMLDSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-6(9(17)15(2)3)10-7-4-5-8-11-13-14-16(8)12-7/h4-6H,1-3H3,(H,10,12).
What are the key properties of N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide?
N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide has a molecular weight of 235.25 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide is sourced from PubChem (CID 112727895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).