N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine

C13H19N5O — CID 4727256

IUPACN-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccccc1OCC
InChIInChI=1S/C13H19N5O/c1-3-9-18-13(15-16-17-18)14-10-11-7-5-6-8-12(11)19-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15,17)
InChIKeyXUQCBTDSXJRPJI-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.09
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine

N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4727256) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID4727256
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccccc1OCC
InChIInChI=1S/C13H19N5O/c1-3-9-18-13(15-16-17-18)14-10-11-7-5-6-8-12(11)19-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15,17)
InChIKeyXUQCBTDSXJRPJI-UHFFFAOYSA-N
XLogP2.09
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine (CID 4727256) is N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccccc1OCC.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is XUQCBTDSXJRPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-9-18-13(15-16-17-18)14-10-11-7-5-6-8-12(11)19-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15,17).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 261.33 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4727256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).