N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine

C9H9Cl2N5 — CID 834557

IUPACN-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2N5/c1-16-9(13-14-15-16)12-5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,12,13,15)
InChIKeyDMKCIJPCQGMMSY-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.13
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine

N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 834557) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID834557
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2N5/c1-16-9(13-14-15-16)12-5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,12,13,15)
InChIKeyDMKCIJPCQGMMSY-UHFFFAOYSA-N
XLogP2.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.13
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-(2,6-dichlorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 2964092
N-(2-chlorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725625
N-((2-Chloro-6-fluorophenyl)methyl)-1-methyl-1H-tetrazol-5-amine
CID 1251687
N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 580629
N-(2-chloro-6-fluorobenzyl)-N-(1-propyl-1H-tetraazol-5-yl)amine
CID 2964093
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
N-(3-chlorobenzyl)-1-methyl-1H-tetrazol-5-amine
CID 834594
N-(4-chlorobenzyl)-1-ethyl-1H-tetrazol-5-amine
CID 4727444
1-(3-chlorobenzyl)-1H-1,2,4-triazol-3-amine
CID 7019336

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine (CID 834557) is N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is DMKCIJPCQGMMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c1-16-9(13-14-15-16)12-5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,12,13,15).
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine?
N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 258.11 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 834557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).