N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine

C13H19N5 — CID 4727417

IUPACN-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(CC)cc1
InChIInChI=1S/C13H19N5/c1-3-9-18-13(15-16-17-18)14-10-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,14,15,17)
InChIKeyULUCZXYXIQZHHT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.26
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine

N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4727417) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID4727417
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(CC)cc1
InChIInChI=1S/C13H19N5/c1-3-9-18-13(15-16-17-18)14-10-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,14,15,17)
InChIKeyULUCZXYXIQZHHT-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine (CID 4727417) is N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(CC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is ULUCZXYXIQZHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-9-18-13(15-16-17-18)14-10-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,14,15,17).
What are the key properties of N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4727417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).