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

C11H15N5O3 — CID 107849570

IUPAC2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
SMILESOCC(CO)(CO)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5O3/c17-6-11(7-18,8-19)12-10-13-14-15-16(10)9-4-2-1-3-5-9/h1-5,17-19H,6-8H2,(H,12,13,15)
InChIKeyBRJNQZFDFPMMEO-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.21
Rot. Bonds6

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

2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol (PubChem CID 107849570) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
PubChem CID107849570
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
SMILESOCC(CO)(CO)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5O3/c17-6-11(7-18,8-19)12-10-13-14-15-16(10)9-4-2-1-3-5-9/h1-5,17-19H,6-8H2,(H,12,13,15)
InChIKeyBRJNQZFDFPMMEO-UHFFFAOYSA-N
XLogP-1.21
TPSA116.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
CID 106186033
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 107852716
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209
1-phenyl-2-(1-phenyltetrazol-5-yl)hydrazine
CID 134909651
2-[1-[[(1-phenyltetrazol-5-yl)amino]methyl]cyclobutyl]ethanol
CID 133376008
4-[(1-phenyltetrazol-5-yl)amino]benzoic acid
CID 43172025
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid
CID 64700964
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol (CID 107849570) is 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol is OCC(CO)(CO)Nc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol?
The InChIKey is BRJNQZFDFPMMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c17-6-11(7-18,8-19)12-10-13-14-15-16(10)9-4-2-1-3-5-9/h1-5,17-19H,6-8H2,(H,12,13,15).
What are the key properties of 2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol?
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol has a molecular weight of 265.27 g/mol, XLogP of -1.21, 6 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)amino]propane-1,3-diol is sourced from PubChem (CID 107849570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).