3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol

C8H15N3O2 — CID 171857381

IUPAC3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol
SMILESCNCC(O)C(O)c1cnc(C)[nH]1
InChIInChI=1S/C8H15N3O2/c1-5-10-3-6(11-5)8(13)7(12)4-9-2/h3,7-9,12-13H,4H2,1-2H3,(H,10,11)
InChIKeyPMYAULRNTDVXKJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.67
Rot. Bonds4

About 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol

3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol (PubChem CID 171857381) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol
PubChem CID171857381
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol
SMILESCNCC(O)C(O)c1cnc(C)[nH]1
InChIInChI=1S/C8H15N3O2/c1-5-10-3-6(11-5)8(13)7(12)4-9-2/h3,7-9,12-13H,4H2,1-2H3,(H,10,11)
InChIKeyPMYAULRNTDVXKJ-UHFFFAOYSA-N
XLogP-0.67
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3,4-dihydroxy-4-(2-methyl-1H-imidazol-5-yl)butyl]carbamate
CID 171884245
3-(methylamino)-1-[2-(methylamino)pyrimidin-5-yl]propane-1,2-diol
CID 171857762
2,2,2-trifluoro-1-(2-methyl-1H-imidazol-5-yl)ethanol
CID 4301934
5-[1,2-dihydroxy-3-(methylamino)propyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 171858584
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
CID 171858316
3-(methylamino)-1-(5-nitro-1H-imidazol-4-yl)propane-1,2-diol
CID 171857766
1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol
CID 171858601
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749
5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 171857429
2-[1,2-dihydroxy-3-(methylamino)propyl]-1,3-thiazole-5-carboxylic acid
CID 171857713
2-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carbonitrile
CID 171858087
1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857957

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol (CID 171857381) is 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol is CNCC(O)C(O)c1cnc(C)[nH]1.
What is the InChIKey of 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol?
The InChIKey is PMYAULRNTDVXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5-10-3-6(11-5)8(13)7(12)4-9-2/h3,7-9,12-13H,4H2,1-2H3,(H,10,11).
What are the key properties of 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol?
3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol has a molecular weight of 185.23 g/mol, XLogP of -0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2-methyl-1H-imidazol-5-yl)propane-1,2-diol is sourced from PubChem (CID 171857381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).