N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine

C12H15N5O — CID 8001539

IUPACN-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C12H15N5O/c1-2-5-10(6-3-1)17-12(14-15-16-17)13-9-11-7-4-8-18-11/h1-3,5-6,11H,4,7-9H2,(H,13,14,16)/t11-/m0/s1
InChIKeyVODXTPKWSVMZFR-NSHDSACASA-N
MW245.29 g/mol
LogP1.25
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine

N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine (PubChem CID 8001539) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
PubChem CID8001539
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C12H15N5O/c1-2-5-10(6-3-1)17-12(14-15-16-17)13-9-11-7-4-8-18-11/h1-3,5-6,11H,4,7-9H2,(H,13,14,16)/t11-/m0/s1
InChIKeyVODXTPKWSVMZFR-NSHDSACASA-N
XLogP1.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine
CID 47292449
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 93422505
N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
CID 64927678
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158
5-(oxolan-2-ylmethylamino)-1-phenylpyrazole-4-carboxylic acid
CID 141299942
5-[[(2R)-oxan-2-yl]methylsulfanyl]-1-phenyltetrazole
CID 8003667
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 125435857
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 41134175
[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol
CID 56752872
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 133301225
N-(oxolan-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 60980439

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine (CID 8001539) is N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine is c1ccc(-n2nnnc2NC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine?
The InChIKey is VODXTPKWSVMZFR-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-5-10(6-3-1)17-12(14-15-16-17)13-9-11-7-4-8-18-11/h1-3,5-6,11H,4,7-9H2,(H,13,14,16)/t11-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine?
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine has a molecular weight of 245.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 8001539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).