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

C12H18N6 — CID 113257468

IUPACN-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCC1(CNc2ccc3nnnn3n2)CCCC1
InChIInChI=1S/C12H18N6/c1-2-12(7-3-4-8-12)9-13-10-5-6-11-14-16-17-18(11)15-10/h5-6H,2-4,7-9H2,1H3,(H,13,15)
InChIKeyFMLUPXLGPGELJU-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.90
Rot. Bonds4

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

N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 113257468) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID113257468
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCC1(CNc2ccc3nnnn3n2)CCCC1
InChIInChI=1S/C12H18N6/c1-2-12(7-3-4-8-12)9-13-10-5-6-11-14-16-17-18(11)15-10/h5-6H,2-4,7-9H2,1H3,(H,13,15)
InChIKeyFMLUPXLGPGELJU-UHFFFAOYSA-N
XLogP1.90
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
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
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol
CID 115620433
N-[(1-methoxycyclobutyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113362466
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47070615
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47983075
N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023
(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine
CID 25469022

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 113257468) is N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is CCC1(CNc2ccc3nnnn3n2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is FMLUPXLGPGELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-12(7-3-4-8-12)9-13-10-5-6-11-14-16-17-18(11)15-10/h5-6H,2-4,7-9H2,1H3,(H,13,15).
What are the key properties of N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 246.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 113257468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).