N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine

C13H20N6O — CID 94032457

IUPACN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESC[C@@H]1CCCC[C@H]1OCCNc1ccc2nnnn2n1
InChIInChI=1S/C13H20N6O/c1-10-4-2-3-5-11(10)20-9-8-14-12-6-7-13-15-17-18-19(13)16-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyRUZCQUZEOSCGOL-GHMZBOCLSA-N
MW276.34 g/mol
LogP1.53
Rot. Bonds5

About N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 94032457) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID94032457
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESC[C@@H]1CCCC[C@H]1OCCNc1ccc2nnnn2n1
InChIInChI=1S/C13H20N6O/c1-10-4-2-3-5-11(10)20-9-8-14-12-6-7-13-15-17-18-19(13)16-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyRUZCQUZEOSCGOL-GHMZBOCLSA-N
XLogP1.53
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95153932
N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 24590303
(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]quinoxalin-2-amine
CID 97312365
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
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
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
N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103844181

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 94032457) is N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine is C[C@@H]1CCCC[C@H]1OCCNc1ccc2nnnn2n1.
What is the InChIKey of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is RUZCQUZEOSCGOL-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10-4-2-3-5-11(10)20-9-8-14-12-6-7-13-15-17-18-19(13)16-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 276.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 94032457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).