N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine

C10H11Cl2N5 — CID 167808600

IUPACN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine
SMILESC[C@H](Nc1nnnn1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N5/c1-6(13-10-14-15-16-17(10)2)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3,(H,13,14,16)/t6-/m0/s1
InChIKeyNCIBHYYQGOKMDZ-LURJTMIESA-N
MW272.14 g/mol
LogP2.69
Rot. Bonds3

About N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine (PubChem CID 167808600) has the molecular formula C10H11Cl2N5 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine
PubChem CID167808600
Molecular FormulaC10H11Cl2N5
Molecular Weight272.14 g/mol
Exact Mass271.04
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine
SMILESC[C@H](Nc1nnnn1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N5/c1-6(13-10-14-15-16-17(10)2)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3,(H,13,14,16)/t6-/m0/s1
InChIKeyNCIBHYYQGOKMDZ-LURJTMIESA-N
XLogP2.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine (CID 167808600) is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine is C[C@H](Nc1nnnn1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine?
The InChIKey is NCIBHYYQGOKMDZ-LURJTMIESA-N. The full InChI is InChI=1S/C10H11Cl2N5/c1-6(13-10-14-15-16-17(10)2)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3,(H,13,14,16)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine?
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine has a molecular weight of 272.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 167808600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).