(1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol

C6H11ClN4O — CID 6336142

IUPAC(1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol
SMILESNC[C@@H](Cl)[C@H](O)c1cnc(N)[nH]1
InChIInChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m1/s1
InChIKeyYILCGOCHVFQMTC-WUJLRWPWSA-N
MW190.63 g/mol
LogP-0.41
Rot. Bonds3

About (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol

(1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol (PubChem CID 6336142) has the molecular formula C6H11ClN4O and a molecular weight of 190.63 g/mol. Its IUPAC name is (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol
PubChem CID6336142
Molecular FormulaC6H11ClN4O
Molecular Weight190.63 g/mol
Exact Mass190.06
IUPAC Name(1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol
SMILESNC[C@@H](Cl)[C@H](O)c1cnc(N)[nH]1
InChIInChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m1/s1
InChIKeyYILCGOCHVFQMTC-WUJLRWPWSA-N
XLogP-0.41
TPSA100.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol?
The IUPAC name of (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol (CID 6336142) is (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol.
What is the SMILES notation for (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol?
The canonical SMILES for (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol is NC[C@@H](Cl)[C@H](O)c1cnc(N)[nH]1.
What is the InChIKey of (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol?
The InChIKey is YILCGOCHVFQMTC-WUJLRWPWSA-N. The full InChI is InChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m1/s1.
What are the key properties of (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol?
(1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol has a molecular weight of 190.63 g/mol, XLogP of -0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol is sourced from PubChem (CID 6336142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).