N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine

C16H18Cl2N6 — CID 133384240

IUPACN-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)CCN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nnnn2n1
InChIInChI=1S/C16H18Cl2N6/c1-11(2)7-8-23(10-12-3-4-13(17)14(18)9-12)16-6-5-15-19-21-22-24(15)20-16/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyKTYRRWFHRXJUTR-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.88
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine

N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133384240) has the molecular formula C16H18Cl2N6 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133384240
Molecular FormulaC16H18Cl2N6
Molecular Weight365.27 g/mol
Exact Mass364.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)CCN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nnnn2n1
InChIInChI=1S/C16H18Cl2N6/c1-11(2)7-8-23(10-12-3-4-13(17)14(18)9-12)16-6-5-15-19-21-22-24(15)20-16/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyKTYRRWFHRXJUTR-UHFFFAOYSA-N
XLogP3.88
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-hydroxyethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]ethanol
CID 79026548
4-[[ethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]methyl]-N,N-dimethylbenzamide
CID 133384331
N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133417071
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 17452018
4-(bromomethyl)-2-chloro-N,N-bis(3-methylbutyl)aniline
CID 107870469
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133361416
2-chloro-4-(chloromethyl)-N,N-bis(3-methylbutyl)aniline
CID 107870442
(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 2846001
4-[[bis(3-methylbutyl)amino]methyl]-2-chloroaniline
CID 107870160
[4-[bis(3-methylbutyl)amino]-3-chlorophenyl]methanol
CID 107870425
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 133384240) is N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine is CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nnnn2n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is KTYRRWFHRXJUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N6/c1-11(2)7-8-23(10-12-3-4-13(17)14(18)9-12)16-6-5-15-19-21-22-24(15)20-16/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 365.27 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-(3-methylbutyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133384240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).