[4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine

C13H17N5O — CID 82228450

IUPAC[4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nnnn2CC2CCCO2)cc1
InChIInChI=1S/C13H17N5O/c14-8-10-3-5-11(6-4-10)13-15-16-17-18(13)9-12-2-1-7-19-12/h3-6,12H,1-2,7-9,14H2
InChIKeyCZJSSXJIIRGJTP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.98
Rot. Bonds4

About [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine

[4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine (PubChem CID 82228450) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine
PubChem CID82228450
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name[4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nnnn2CC2CCCO2)cc1
InChIInChI=1S/C13H17N5O/c14-8-10-3-5-11(6-4-10)13-15-16-17-18(13)9-12-2-1-7-19-12/h3-6,12H,1-2,7-9,14H2
InChIKeyCZJSSXJIIRGJTP-UHFFFAOYSA-N
XLogP0.98
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine 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

4-[1-(oxan-2-ylmethyl)tetrazol-5-yl]aniline
CID 55014530
4-fluoro-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]aniline
CID 61351652
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
1-(oxolan-2-ylmethyl)-5-(3-phenylpropyl)tetrazole
CID 71860522
1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole
CID 96563588
[4-(1-butyltetrazol-5-yl)phenyl]methanamine
CID 82228437
5-[(R)-(4-methylphenyl)-pyrrolidin-1-ylmethyl]-1-[[(2S)-oxolan-2-yl]methyl]tetrazole
CID 861323
3-[1-(1,4-dioxan-2-ylmethyl)tetrazol-5-yl]aniline
CID 61351622
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369

Frequently Asked Questions

What is the IUPAC name of [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine?
The IUPAC name of [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine (CID 82228450) is [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine.
What is the SMILES notation for [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine?
The canonical SMILES for [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine is NCc1ccc(-c2nnnn2CC2CCCO2)cc1.
What is the InChIKey of [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine?
The InChIKey is CZJSSXJIIRGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-8-10-3-5-11(6-4-10)13-15-16-17-18(13)9-12-2-1-7-19-12/h3-6,12H,1-2,7-9,14H2.
What are the key properties of [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine?
[4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 82228450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).