1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol

C6H12N4O — CID 174434274

IUPAC1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol
SMILESCc1cc(NCC(N)O)n[nH]1
InChIInChI=1S/C6H12N4O/c1-4-2-6(10-9-4)8-3-5(7)11/h2,5,11H,3,7H2,1H3,(H2,8,9,10)
InChIKeyKNDPYRIBUDWUKR-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.59
Rot. Bonds3

About 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol

1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol (PubChem CID 174434274) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol.

Molecular Properties

Compound Name1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol
PubChem CID174434274
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol
SMILESCc1cc(NCC(N)O)n[nH]1
InChIInChI=1S/C6H12N4O/c1-4-2-6(10-9-4)8-3-5(7)11/h2,5,11H,3,7H2,1H3,(H2,8,9,10)
InChIKeyKNDPYRIBUDWUKR-UHFFFAOYSA-N
XLogP-0.59
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol?
The IUPAC name of 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol (CID 174434274) is 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol.
What is the SMILES notation for 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol?
The canonical SMILES for 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol is Cc1cc(NCC(N)O)n[nH]1.
What is the InChIKey of 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol?
The InChIKey is KNDPYRIBUDWUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4-2-6(10-9-4)8-3-5(7)11/h2,5,11H,3,7H2,1H3,(H2,8,9,10).
What are the key properties of 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol?
1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol has a molecular weight of 156.19 g/mol, XLogP of -0.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethanol is sourced from PubChem (CID 174434274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).