1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine

C19H21N9O — CID 66538914

IUPAC1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C19H21N9O/c1-2-3-12-27-18(21-23-25-27)20-14-15-8-7-11-17(13-15)29-19-22-24-26-28(19)16-9-5-4-6-10-16/h4-11,13H,2-3,12,14H2,1H3,(H,20,21,25)
InChIKeyMTFWCYJZIDWJQV-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.85
Rot. Bonds9

About 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine

1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine (PubChem CID 66538914) has the molecular formula C19H21N9O and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine
PubChem CID66538914
Molecular FormulaC19H21N9O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C19H21N9O/c1-2-3-12-27-18(21-23-25-27)20-14-15-8-7-11-17(13-15)29-19-22-24-26-28(19)16-9-5-4-6-10-16/h4-11,13H,2-3,12,14H2,1H3,(H,20,21,25)
InChIKeyMTFWCYJZIDWJQV-UHFFFAOYSA-N
XLogP2.85
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-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

Related Compounds

N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline
CID 66539007
1-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206239
3-methoxy-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206385
ethyl 4-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]benzoate
CID 66539015
2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol
CID 17206251
N',N'-diethyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17216139
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17212372
2-(1-methyltetrazol-5-yl)sulfanyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17206272
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
CID 17206293
N-[(2-methoxyphenyl)methyl]-1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206380
1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17206254

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine?
The IUPAC name of 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine (CID 66538914) is 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine is CCCCn1nnnc1NCc1cccc(Oc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine?
The InChIKey is MTFWCYJZIDWJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O/c1-2-3-12-27-18(21-23-25-27)20-14-15-8-7-11-17(13-15)29-19-22-24-26-28(19)16-9-5-4-6-10-16/h4-11,13H,2-3,12,14H2,1H3,(H,20,21,25).
What are the key properties of 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine?
1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine has a molecular weight of 391.44 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 66538914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).