1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine

C13H17N5O — CID 47292449

IUPAC1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCC2CCCO2)cc1
InChIInChI=1S/C13H17N5O/c1-10-4-6-11(7-5-10)18-13(15-16-17-18)14-9-12-3-2-8-19-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15,17)
InChIKeyTZMLANFFAJXMNW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds4

About 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine

1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine (PubChem CID 47292449) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine
PubChem CID47292449
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCC2CCCO2)cc1
InChIInChI=1S/C13H17N5O/c1-10-4-6-11(7-5-10)18-13(15-16-17-18)14-9-12-3-2-8-19-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15,17)
InChIKeyTZMLANFFAJXMNW-UHFFFAOYSA-N
XLogP1.56
TPSA64.86 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine
CID 56816150
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine
CID 133461869
N-(oxolan-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 60980439
1-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615661
2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7099247
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 106026908
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2610421
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine
CID 60570019

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine (CID 47292449) is 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine is Cc1ccc(-n2nnnc2NCC2CCCO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine?
The InChIKey is TZMLANFFAJXMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-4-6-11(7-5-10)18-13(15-16-17-18)14-9-12-3-2-8-19-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15,17).
What are the key properties of 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine?
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine has a molecular weight of 259.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 47292449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).