3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol

C7H14N4O2 — CID 66176969

IUPAC3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
SMILESCn1cc(CNCC(O)CO)nn1
InChIInChI=1S/C7H14N4O2/c1-11-4-6(9-10-11)2-8-3-7(13)5-12/h4,7-8,12-13H,2-3,5H2,1H3
InChIKeyAHGDMFBWWGGYIF-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.74
Rot. Bonds5

About 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol

3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol (PubChem CID 66176969) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
PubChem CID66176969
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
SMILESCn1cc(CNCC(O)CO)nn1
InChIInChI=1S/C7H14N4O2/c1-11-4-6(9-10-11)2-8-3-7(13)5-12/h4,7-8,12-13H,2-3,5H2,1H3
InChIKeyAHGDMFBWWGGYIF-UHFFFAOYSA-N
XLogP-1.74
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
2-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054191
3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62757060
(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
CID 165487520
(2S)-2-[(1-methyltriazol-4-yl)methylamino]butan-1-ol
CID 104980852
3-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054038
N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 55113610
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 62757749
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62755280
2-(2-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]pentan-1-amine
CID 106117057
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol (CID 66176969) is 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol is Cn1cc(CNCC(O)CO)nn1.
What is the InChIKey of 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol?
The InChIKey is AHGDMFBWWGGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-11-4-6(9-10-11)2-8-3-7(13)5-12/h4,7-8,12-13H,2-3,5H2,1H3.
What are the key properties of 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol?
3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol has a molecular weight of 186.21 g/mol, XLogP of -1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 66176969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).