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

C14H17N7 — CID 40843444

IUPAC(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
SMILESCN(C)[C@@H](CNc1ccc2nnnn2n1)c1ccccc1
InChIInChI=1S/C14H17N7/c1-20(2)12(11-6-4-3-5-7-11)10-15-13-8-9-14-16-18-19-21(14)17-13/h3-9,12H,10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyXBPABUNQPVWYMR-LBPRGKRZSA-N
MW283.34 g/mol
LogP1.23
Rot. Bonds5

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

(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine (PubChem CID 40843444) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
PubChem CID40843444
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
SMILESCN(C)[C@@H](CNc1ccc2nnnn2n1)c1ccccc1
InChIInChI=1S/C14H17N7/c1-20(2)12(11-6-4-3-5-7-11)10-15-13-8-9-14-16-18-19-21(14)17-13/h3-9,12H,10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyXBPABUNQPVWYMR-LBPRGKRZSA-N
XLogP1.23
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941
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'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 17470486
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 115366197
1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol
CID 42947574
N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 36835462
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol
CID 113320128

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine?
The IUPAC name of (1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine (CID 40843444) is (1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine is CN(C)[C@@H](CNc1ccc2nnnn2n1)c1ccccc1.
What is the InChIKey of (1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine?
The InChIKey is XBPABUNQPVWYMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N7/c1-20(2)12(11-6-4-3-5-7-11)10-15-13-8-9-14-16-18-19-21(14)17-13/h3-9,12H,10H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine?
(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine has a molecular weight of 283.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 40843444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).