N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine

C10H12ClN5 — CID 4727444

IUPACN-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN5/c1-2-16-10(13-14-15-16)12-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13,15)
InChIKeyRJBNLBDFOLISHK-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.96
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine

N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine (PubChem CID 4727444) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine
PubChem CID4727444
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC NameN-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN5/c1-2-16-10(13-14-15-16)12-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13,15)
InChIKeyRJBNLBDFOLISHK-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine (CID 4727444) is N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine?
The InChIKey is RJBNLBDFOLISHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-2-16-10(13-14-15-16)12-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13,15).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine?
N-[(4-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-[(4-chlorophenyl)methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 4727444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).