N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine

C9H10ClN5 — CID 834594

IUPACN-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1cccc(Cl)c1
InChIInChI=1S/C9H10ClN5/c1-15-9(12-13-14-15)11-6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3,(H,11,12,14)
InChIKeyLHGUEZNOCBIYDO-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.48
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine

N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 834594) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID834594
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC NameN-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1cccc(Cl)c1
InChIInChI=1S/C9H10ClN5/c1-15-9(12-13-14-15)11-6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3,(H,11,12,14)
InChIKeyLHGUEZNOCBIYDO-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-1H-1,2,3,4-tetrazol-5-amine
CID 563074
1-methyl-N-(2-methylbenzyl)-1H-tetrazol-5-amine
CID 834605
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-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725597
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine (CID 834594) is N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is LHGUEZNOCBIYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-15-9(12-13-14-15)11-6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3,(H,11,12,14).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 223.67 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 834594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).