1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol

C11H15N5O — CID 107046317

IUPAC1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol
SMILESCn1nnc(CC(O)(CN)c2ccccc2)n1
InChIInChI=1S/C11H15N5O/c1-16-14-10(13-15-16)7-11(17,8-12)9-5-3-2-4-6-9/h2-6,17H,7-8,12H2,1H3
InChIKeyMRCPEYGMZNWHJM-UHFFFAOYSA-N
MW233.28 g/mol
LogP-0.40
Rot. Bonds4

About 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol

1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol (PubChem CID 107046317) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol
PubChem CID107046317
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol
SMILESCn1nnc(CC(O)(CN)c2ccccc2)n1
InChIInChI=1S/C11H15N5O/c1-16-14-10(13-15-16)7-11(17,8-12)9-5-3-2-4-6-9/h2-6,17H,7-8,12H2,1H3
InChIKeyMRCPEYGMZNWHJM-UHFFFAOYSA-N
XLogP-0.40
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol (CID 107046317) is 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol is Cn1nnc(CC(O)(CN)c2ccccc2)n1.
What is the InChIKey of 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol?
The InChIKey is MRCPEYGMZNWHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-14-10(13-15-16)7-11(17,8-12)9-5-3-2-4-6-9/h2-6,17H,7-8,12H2,1H3.
What are the key properties of 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol?
1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol has a molecular weight of 233.28 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 107046317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).