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

C12H17N5O — CID 4725808

IUPACN-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(OC)cc1
InChIInChI=1S/C12H17N5O/c1-3-8-17-12(14-15-16-17)13-9-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14,16)
InChIKeyIXZISKVPQPJSGZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.70
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4725808) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID4725808
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(OC)cc1
InChIInChI=1S/C12H17N5O/c1-3-8-17-12(14-15-16-17)13-9-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14,16)
InChIKeyIXZISKVPQPJSGZ-UHFFFAOYSA-N
XLogP1.70
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-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-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine (CID 4725808) is N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is IXZISKVPQPJSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-8-17-12(14-15-16-17)13-9-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4725808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).