N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine

C12H19N7O — CID 106620852

IUPACN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOCCN(CC1CCCN1)c1ccc2nnnn2n1
InChIInChI=1S/C12H19N7O/c1-20-8-7-18(9-10-3-2-6-13-10)12-5-4-11-14-16-17-19(11)15-12/h4-5,10,13H,2-3,6-9H2,1H3
InChIKeyABRVOTRCNRBPSY-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.28
Rot. Bonds6

About N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 106620852) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID106620852
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOCCN(CC1CCCN1)c1ccc2nnnn2n1
InChIInChI=1S/C12H19N7O/c1-20-8-7-18(9-10-3-2-6-13-10)12-5-4-11-14-16-17-19(11)15-12/h4-5,10,13H,2-3,6-9H2,1H3
InChIKeyABRVOTRCNRBPSY-UHFFFAOYSA-N
XLogP-0.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 106618801
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106621059
6-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106621123
6-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620842
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106621078
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106621125
3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620995
N-(2-methoxyethyl)-2-methyl-6-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620942
N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106621007
2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 107280969
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
CID 106621411
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 106620852) is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine is COCCN(CC1CCCN1)c1ccc2nnnn2n1.
What is the InChIKey of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is ABRVOTRCNRBPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-20-8-7-18(9-10-3-2-6-13-10)12-5-4-11-14-16-17-19(11)15-12/h4-5,10,13H,2-3,6-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 277.33 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 106620852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).