N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine

C13H19N5O2 — CID 4725752

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccc(OC)c1OC
InChIInChI=1S/C13H19N5O2/c1-4-8-18-13(15-16-17-18)14-9-10-6-5-7-11(19-2)12(10)20-3/h5-7H,4,8-9H2,1-3H3,(H,14,15,17)
InChIKeyAZFBWBHNWLMKSM-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.71
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4725752) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID4725752
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccc(OC)c1OC
InChIInChI=1S/C13H19N5O2/c1-4-8-18-13(15-16-17-18)14-9-10-6-5-7-11(19-2)12(10)20-3/h5-7H,4,8-9H2,1-3H3,(H,14,15,17)
InChIKeyAZFBWBHNWLMKSM-UHFFFAOYSA-N
XLogP1.71
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine (CID 4725752) is N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is AZFBWBHNWLMKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-8-18-13(15-16-17-18)14-9-10-6-5-7-11(19-2)12(10)20-3/h5-7H,4,8-9H2,1-3H3,(H,14,15,17).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 277.33 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4725752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).