N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine

C10H12ClN5 — CID 63149791

IUPACN-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine
SMILESCC(Nc1nnnn1C)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN5/c1-7(8-3-5-9(11)6-4-8)12-10-13-14-15-16(10)2/h3-7H,1-2H3,(H,12,13,15)
InChIKeyVSCFLMCMMWPJEI-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.04
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine

N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine (PubChem CID 63149791) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine
PubChem CID63149791
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine
SMILESCC(Nc1nnnn1C)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN5/c1-7(8-3-5-9(11)6-4-8)12-10-13-14-15-16(10)2/h3-7H,1-2H3,(H,12,13,15)
InChIKeyVSCFLMCMMWPJEI-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 167808600
1-methyl-N-(1-pyridin-3-ylethyl)tetrazol-5-amine
CID 63152413
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyltetrazol-5-amine
CID 63150290
N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine
CID 63152502
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106565809
N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 42909642
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9195049
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016788
(1R)-1-(4-chlorophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81352643
3-[1-(4-chlorophenyl)ethylamino]pyrazine-2-carbothioamide
CID 62684452

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine (CID 63149791) is N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine is CC(Nc1nnnn1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine?
The InChIKey is VSCFLMCMMWPJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-7(8-3-5-9(11)6-4-8)12-10-13-14-15-16(10)2/h3-7H,1-2H3,(H,12,13,15).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine?
N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine has a molecular weight of 237.69 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 63149791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).