3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol

C7H13N3O2 — CID 170827482

IUPAC3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol
SMILESCc1[nH]cnc1C(O)C(O)CN
InChIInChI=1S/C7H13N3O2/c1-4-6(10-3-9-4)7(12)5(11)2-8/h3,5,7,11-12H,2,8H2,1H3,(H,9,10)
InChIKeyQWSRYKSIXPWCDR-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.93
Rot. Bonds3

About 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol

3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol (PubChem CID 170827482) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol
PubChem CID170827482
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol
SMILESCc1[nH]cnc1C(O)C(O)CN
InChIInChI=1S/C7H13N3O2/c1-4-6(10-3-9-4)7(12)5(11)2-8/h3,5,7,11-12H,2,8H2,1H3,(H,9,10)
InChIKeyQWSRYKSIXPWCDR-UHFFFAOYSA-N
XLogP-0.93
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-methyl-4-propan-2-yl-1H-imidazole
CID 170617966
2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
CID 82372771
methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate
CID 131497707
3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol
CID 170827687
3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 170827509
5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole
CID 174272921
ethyl 3,4-dihydroxy-4-(5-nitro-1H-imidazol-4-yl)butanoate
CID 171897193
3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
CID 170827559
3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84739922
(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-1-amine
CID 67945856
3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol
CID 170829105

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol (CID 170827482) is 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol is Cc1[nH]cnc1C(O)C(O)CN.
What is the InChIKey of 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol?
The InChIKey is QWSRYKSIXPWCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4-6(10-3-9-4)7(12)5(11)2-8/h3,5,7,11-12H,2,8H2,1H3,(H,9,10).
What are the key properties of 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol?
3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol has a molecular weight of 171.20 g/mol, XLogP of -0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol is sourced from PubChem (CID 170827482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).