2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol

C12H17N5O2 — CID 79811196

IUPAC2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
SMILESCC(CO)(CO)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C12H17N5O2/c1-12(8-18,9-19)13-7-11-14-15-16-17(11)10-5-3-2-4-6-10/h2-6,13,18-19H,7-9H2,1H3
InChIKeyWQLGXGPORSXYAT-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.50
Rot. Bonds6

About 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol

2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol (PubChem CID 79811196) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
PubChem CID79811196
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
SMILESCC(CO)(CO)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C12H17N5O2/c1-12(8-18,9-19)13-7-11-14-15-16-17(11)10-5-3-2-4-6-10/h2-6,13,18-19H,7-9H2,1H3
InChIKeyWQLGXGPORSXYAT-UHFFFAOYSA-N
XLogP-0.50
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 107852716
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol
CID 83151612
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 114941953
5-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-phenyltetrazole
CID 79453033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol (CID 79811196) is 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol is CC(CO)(CO)NCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol?
The InChIKey is WQLGXGPORSXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-12(8-18,9-19)13-7-11-14-15-16-17(11)10-5-3-2-4-6-10/h2-6,13,18-19H,7-9H2,1H3.
What are the key properties of 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol?
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol has a molecular weight of 263.30 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 79811196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).