(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine

C14H23N7 — CID 94063941

IUPAC(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1ccc2nnnn2n1)C1CCCCC1
InChIInChI=1S/C14H23N7/c1-20(2)12(11-6-4-3-5-7-11)10-15-13-8-9-14-16-18-19-21(14)17-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyOXOVYLZJUYIBRD-GFCCVEGCSA-N
MW289.39 g/mol
LogP1.44
Rot. Bonds5

About (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine

(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine (PubChem CID 94063941) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
PubChem CID94063941
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1ccc2nnnn2n1)C1CCCCC1
InChIInChI=1S/C14H23N7/c1-20(2)12(11-6-4-3-5-7-11)10-15-13-8-9-14-16-18-19-21(14)17-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyOXOVYLZJUYIBRD-GFCCVEGCSA-N
XLogP1.44
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine with MolForge

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Related Compounds

(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 40843444
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
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
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 51076061
(2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol
CID 31659755
N-cyclohexyl-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 18129399
N-(1-cyclopropylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136349
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]pyridine-3-carbonitrile
CID 60502185
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94032457

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine (CID 94063941) is (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine is CN(C)[C@H](CNc1ccc2nnnn2n1)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine?
The InChIKey is OXOVYLZJUYIBRD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N7/c1-20(2)12(11-6-4-3-5-7-11)10-15-13-8-9-14-16-18-19-21(14)17-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine?
(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 94063941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).