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

C10H12ClN5 — CID 834583

IUPACN-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClN5/c1-2-16-10(13-14-15-16)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13,15)
InChIKeyUBXVBOIMLUGQDD-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.96
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine (PubChem CID 834583) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine
PubChem CID834583
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC NameN-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClN5/c1-2-16-10(13-14-15-16)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13,15)
InChIKeyUBXVBOIMLUGQDD-UHFFFAOYSA-N
XLogP1.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.96
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-ethyltetrazol-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine (CID 834583) is N-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine?
The InChIKey is UBXVBOIMLUGQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-2-16-10(13-14-15-16)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13,15).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine?
N-[(3-chlorophenyl)methyl]-1-ethyltetrazol-5-amine has a molecular weight of 237.69 g/mol, XLogP of 1.96, 4 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-ethyltetrazol-5-amine is sourced from PubChem (CID 834583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).