N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine

C13H17N5O — CID 103889207

IUPACN-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
SMILESCC1CC(Nc2nnnn2-c2ccccc2)CCO1
InChIInChI=1S/C13H17N5O/c1-10-9-11(7-8-19-10)14-13-15-16-17-18(13)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,14,15,17)
InChIKeyYNZDRYNJGBJXBK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds3

About N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine

N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine (PubChem CID 103889207) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
PubChem CID103889207
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
SMILESCC1CC(Nc2nnnn2-c2ccccc2)CCO1
InChIInChI=1S/C13H17N5O/c1-10-9-11(7-8-19-10)14-13-15-16-17-18(13)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,14,15,17)
InChIKeyYNZDRYNJGBJXBK-UHFFFAOYSA-N
XLogP1.64
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79110566
N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
CID 113428720
(2R,3S,4S)-2-(hydroxymethyl)-4-[(1-phenyltetrazol-5-yl)amino]oxan-3-ol
CID 154817090
1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine
CID 133461869
N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
CID 9311708
N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
CID 43078771
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine
CID 11938976
1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one
CID 64670207
1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine
CID 2561113
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
3-fluoro-N-[(2S,4S)-2-methyloxan-4-yl]pyridin-2-amine
CID 129411560
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine?
The IUPAC name of N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine (CID 103889207) is N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine?
The canonical SMILES for N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine is CC1CC(Nc2nnnn2-c2ccccc2)CCO1.
What is the InChIKey of N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine?
The InChIKey is YNZDRYNJGBJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-9-11(7-8-19-10)14-13-15-16-17-18(13)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,14,15,17).
What are the key properties of N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine?
N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine has a molecular weight of 259.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine is sourced from PubChem (CID 103889207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).