N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine

C14H19N5O2 — CID 133400034

IUPACN-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCOC1(CNc2nnnn2-c2ccccc2)CCOCC1
InChIInChI=1S/C14H19N5O2/c1-20-14(7-9-21-10-8-14)11-15-13-16-17-18-19(13)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16,18)
InChIKeyAUENRYCKJYEUJQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.27
Rot. Bonds5

About N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine

N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 133400034) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine
PubChem CID133400034
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCOC1(CNc2nnnn2-c2ccccc2)CCOCC1
InChIInChI=1S/C14H19N5O2/c1-20-14(7-9-21-10-8-14)11-15-13-16-17-18-19(13)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16,18)
InChIKeyAUENRYCKJYEUJQ-UHFFFAOYSA-N
XLogP1.27
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine (CID 133400034) is N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine is COC1(CNc2nnnn2-c2ccccc2)CCOCC1.
What is the InChIKey of N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is AUENRYCKJYEUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-14(7-9-21-10-8-14)11-15-13-16-17-18-19(13)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16,18).
What are the key properties of N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine?
N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 289.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 133400034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).