N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide

C10H15N7O — CID 112684377

IUPACN-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
SMILESCC(C)NC(=O)CCNc1ccc2nnnn2n1
InChIInChI=1S/C10H15N7O/c1-7(2)12-10(18)5-6-11-8-3-4-9-13-15-16-17(9)14-8/h3-4,7H,5-6H2,1-2H3,(H,11,14)(H,12,18)
InChIKeyNUFRHABNYFPLKR-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.15
Rot. Bonds5

About N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide

N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide (PubChem CID 112684377) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
PubChem CID112684377
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
SMILESCC(C)NC(=O)CCNc1ccc2nnnn2n1
InChIInChI=1S/C10H15N7O/c1-7(2)12-10(18)5-6-11-8-3-4-9-13-15-16-17(9)14-8/h3-4,7H,5-6H2,1-2H3,(H,11,14)(H,12,18)
InChIKeyNUFRHABNYFPLKR-UHFFFAOYSA-N
XLogP-0.15
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 75432970
N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
CID 115690617
N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
CID 112727895
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol
CID 115620433
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
CID 78993011
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
CID 78990679

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide?
The IUPAC name of N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide (CID 112684377) is N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide?
The canonical SMILES for N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide is CC(C)NC(=O)CCNc1ccc2nnnn2n1.
What is the InChIKey of N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide?
The InChIKey is NUFRHABNYFPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-7(2)12-10(18)5-6-11-8-3-4-9-13-15-16-17(9)14-8/h3-4,7H,5-6H2,1-2H3,(H,11,14)(H,12,18).
What are the key properties of N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide?
N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide has a molecular weight of 249.28 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide is sourced from PubChem (CID 112684377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).