2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol

C6H10ClN5O — CID 118166223

IUPAC2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C6H10ClN5O/c1-3(2-13)9-6-10-5(8)4(7)11-12-6/h3,13H,2H2,1H3,(H3,8,9,10,12)
InChIKeyKWOURMSJQGFPJZ-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.10
Rot. Bonds3

About 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol

2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol (PubChem CID 118166223) has the molecular formula C6H10ClN5O and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol
PubChem CID118166223
Molecular FormulaC6H10ClN5O
Molecular Weight203.63 g/mol
Exact Mass203.06
IUPAC Name2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C6H10ClN5O/c1-3(2-13)9-6-10-5(8)4(7)11-12-6/h3,13H,2H2,1H3,(H3,8,9,10,12)
InChIKeyKWOURMSJQGFPJZ-UHFFFAOYSA-N
XLogP-0.10
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol?
The IUPAC name of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol (CID 118166223) is 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol is CC(CO)Nc1nnc(Cl)c(N)n1.
What is the InChIKey of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol?
The InChIKey is KWOURMSJQGFPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN5O/c1-3(2-13)9-6-10-5(8)4(7)11-12-6/h3,13H,2H2,1H3,(H3,8,9,10,12).
What are the key properties of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol?
2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol has a molecular weight of 203.63 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 118166223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).