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

C12H17N5O3 — CID 107852716

IUPAC2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
SMILESOCC(CO)(CO)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C12H17N5O3/c18-7-12(8-19,9-20)13-6-11-14-15-16-17(11)10-4-2-1-3-5-10/h1-5,13,18-20H,6-9H2
InChIKeyVRMPNDLBVNYJSU-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.53
Rot. Bonds7

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

2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol (PubChem CID 107852716) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
PubChem CID107852716
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
SMILESOCC(CO)(CO)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C12H17N5O3/c18-7-12(8-19,9-20)13-6-11-14-15-16-17(11)10-4-2-1-3-5-10/h1-5,13,18-20H,6-9H2
InChIKeyVRMPNDLBVNYJSU-UHFFFAOYSA-N
XLogP-1.53
TPSA116.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
CID 107849570
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
1-[[(1-phenyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65108941
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol
CID 83151612

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol (CID 107852716) is 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol is OCC(CO)(CO)NCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol?
The InChIKey is VRMPNDLBVNYJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c18-7-12(8-19,9-20)13-6-11-14-15-16-17(11)10-4-2-1-3-5-10/h1-5,13,18-20H,6-9H2.
What are the key properties of 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol?
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol has a molecular weight of 279.30 g/mol, XLogP of -1.53, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 107852716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).