4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine

C12H18N6O — CID 106244044

IUPAC4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
SMILESCOCC(N)CCNc1nnnn1-c1ccccc1
InChIInChI=1S/C12H18N6O/c1-19-9-10(13)7-8-14-12-15-16-17-18(12)11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15,17)
InChIKeyZTQSIIVFGKLFHR-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.44
Rot. Bonds7

About 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine

4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine (PubChem CID 106244044) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
PubChem CID106244044
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
SMILESCOCC(N)CCNc1nnnn1-c1ccccc1
InChIInChI=1S/C12H18N6O/c1-19-9-10(13)7-8-14-12-15-16-17-18(12)11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15,17)
InChIKeyZTQSIIVFGKLFHR-UHFFFAOYSA-N
XLogP0.44
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine
CID 103604297
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
CID 9107188
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238
N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 71852756
N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133472424
2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol
CID 133448175
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133412491
2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid
CID 65224474

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine?
The IUPAC name of 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine (CID 106244044) is 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine.
What is the SMILES notation for 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine?
The canonical SMILES for 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine is COCC(N)CCNc1nnnn1-c1ccccc1.
What is the InChIKey of 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine?
The InChIKey is ZTQSIIVFGKLFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-19-9-10(13)7-8-14-12-15-16-17-18(12)11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15,17).
What are the key properties of 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine?
4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine has a molecular weight of 262.32 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine is sourced from PubChem (CID 106244044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).