2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol

C9H18N4O2 — CID 107865257

IUPAC2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ncnn1C
InChIInChI=1S/C9H18N4O2/c1-3-9(5-14,6-15)11-4-8-10-7-12-13(8)2/h7,11,14-15H,3-6H2,1-2H3
InChIKeyLMTZMYXINDAORN-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.96
Rot. Bonds6

About 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol

2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol (PubChem CID 107865257) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol
PubChem CID107865257
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ncnn1C
InChIInChI=1S/C9H18N4O2/c1-3-9(5-14,6-15)11-4-8-10-7-12-13(8)2/h7,11,14-15H,3-6H2,1-2H3
InChIKeyLMTZMYXINDAORN-UHFFFAOYSA-N
XLogP-0.96
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-1-ol
CID 115359975
(2S)-3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249141
3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249791
2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 114010486
2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 103880603
5-[(2-methyl-1,2,4-triazol-3-yl)methylamino]pentan-1-ol
CID 107317324
2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
CID 115762417
2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115876423
2-ethyl-2-(pyrimidin-4-ylmethylamino)propane-1,3-diol
CID 107864870
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol
CID 103880578
2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol
CID 62699368

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol (CID 107865257) is 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1ncnn1C.
What is the InChIKey of 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol?
The InChIKey is LMTZMYXINDAORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-3-9(5-14,6-15)11-4-8-10-7-12-13(8)2/h7,11,14-15H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol has a molecular weight of 214.27 g/mol, XLogP of -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 107865257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).