N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine

C11H13Cl2N5 — CID 2964092

IUPACN-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N5/c1-2-6-18-11(15-16-17-18)14-7-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H,14,15,17)
InChIKeyZXLDEEPNRCDGOZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.00
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine

N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 2964092) has the molecular formula C11H13Cl2N5 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID2964092
Molecular FormulaC11H13Cl2N5
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N5/c1-2-6-18-11(15-16-17-18)14-7-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H,14,15,17)
InChIKeyZXLDEEPNRCDGOZ-UHFFFAOYSA-N
XLogP3.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine
CID 4727782
N-[(2,4-dichlorophenyl)methyl]-1-propyltetrazol-5-amine
CID 1511419
N-(2-chlorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725625
N-(2-fluorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725628
N-((2-Chloro-6-fluorophenyl)methyl)-1-methyl-1H-tetrazol-5-amine
CID 1251687
N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 580629
1-methyl-N-(4-methylbenzyl)-1H-tetrazol-5-amine
CID 4727544
N-(2,3-dichlorobenzyl)-1-methyl-1H-tetrazol-5-amine
CID 834557
N-(2-chloro-6-fluorobenzyl)-N-(1-propyl-1H-tetraazol-5-yl)amine
CID 2964093
3,5-dibromo-1-(2,4-dichlorobenzyl)-1H-1,2,4-triazole
CID 9420631
N-[1-(2,4-dichlorobenzyl)-1H-1,2,3,4-tetraazol-5-yl]-N,N-dimethylamine
CID 1475266
N-(3,4-dichlorobenzyl)-N-(1-methyl-1H-tetraazol-5-yl)amine
CID 834558

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine (CID 2964092) is N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is ZXLDEEPNRCDGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5/c1-2-6-18-11(15-16-17-18)14-7-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H,14,15,17).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine?
N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 286.17 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 2964092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).