N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine

C11H13Cl2N5O — CID 39860661

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2cc(Cl)cc(Cl)c2OC)n1
InChIInChI=1S/C11H13Cl2N5O/c1-3-18-16-11(15-17-18)14-6-7-4-8(12)5-9(13)10(7)19-2/h4-5H,3,6H2,1-2H3,(H,14,16)
InChIKeyFKAYHDLNDYCKMC-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.62
Rot. Bonds5

About N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine (PubChem CID 39860661) has the molecular formula C11H13Cl2N5O and a molecular weight of 302.17 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine
PubChem CID39860661
Molecular FormulaC11H13Cl2N5O
Molecular Weight302.17 g/mol
Exact Mass301.05
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2cc(Cl)cc(Cl)c2OC)n1
InChIInChI=1S/C11H13Cl2N5O/c1-3-18-16-11(15-17-18)14-6-7-4-8(12)5-9(13)10(7)19-2/h4-5H,3,6H2,1-2H3,(H,14,16)
InChIKeyFKAYHDLNDYCKMC-UHFFFAOYSA-N
XLogP2.62
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine (CID 39860661) is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine is CCn1nnc(NCc2cc(Cl)cc(Cl)c2OC)n1.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine?
The InChIKey is FKAYHDLNDYCKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5O/c1-3-18-16-11(15-17-18)14-6-7-4-8(12)5-9(13)10(7)19-2/h4-5H,3,6H2,1-2H3,(H,14,16).
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine?
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine has a molecular weight of 302.17 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine is sourced from PubChem (CID 39860661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).