[(4-chloro-1,3,5-triazin-2-yl)amino]methanol

C4H5ClN4O — CID 54161527

IUPAC[(4-chloro-1,3,5-triazin-2-yl)amino]methanol
SMILESOCNc1ncnc(Cl)n1
InChIInChI=1S/C4H5ClN4O/c5-3-6-1-7-4(9-3)8-2-10/h1,10H,2H2,(H,6,7,8,9)
InChIKeyFSBKYMSJWFNZGX-UHFFFAOYSA-N
MW160.56 g/mol
LogP-0.11
Rot. Bonds2

About [(4-chloro-1,3,5-triazin-2-yl)amino]methanol

[(4-chloro-1,3,5-triazin-2-yl)amino]methanol (PubChem CID 54161527) has the molecular formula C4H5ClN4O and a molecular weight of 160.56 g/mol. Its IUPAC name is [(4-chloro-1,3,5-triazin-2-yl)amino]methanol.

Molecular Properties

Compound Name[(4-chloro-1,3,5-triazin-2-yl)amino]methanol
PubChem CID54161527
Molecular FormulaC4H5ClN4O
Molecular Weight160.56 g/mol
Exact Mass160.02
IUPAC Name[(4-chloro-1,3,5-triazin-2-yl)amino]methanol
SMILESOCNc1ncnc(Cl)n1
InChIInChI=1S/C4H5ClN4O/c5-3-6-1-7-4(9-3)8-2-10/h1,10H,2H2,(H,6,7,8,9)
InChIKeyFSBKYMSJWFNZGX-UHFFFAOYSA-N
XLogP-0.11
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [(4-chloro-1,3,5-triazin-2-yl)amino]methanol?
The IUPAC name of [(4-chloro-1,3,5-triazin-2-yl)amino]methanol (CID 54161527) is [(4-chloro-1,3,5-triazin-2-yl)amino]methanol.
What is the SMILES notation for [(4-chloro-1,3,5-triazin-2-yl)amino]methanol?
The canonical SMILES for [(4-chloro-1,3,5-triazin-2-yl)amino]methanol is OCNc1ncnc(Cl)n1.
What is the InChIKey of [(4-chloro-1,3,5-triazin-2-yl)amino]methanol?
The InChIKey is FSBKYMSJWFNZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4O/c5-3-6-1-7-4(9-3)8-2-10/h1,10H,2H2,(H,6,7,8,9).
What are the key properties of [(4-chloro-1,3,5-triazin-2-yl)amino]methanol?
[(4-chloro-1,3,5-triazin-2-yl)amino]methanol has a molecular weight of 160.56 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1,3,5-triazin-2-yl)amino]methanol is sourced from PubChem (CID 54161527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).