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

C10H15ClN4O — CID 154960709

IUPAC2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H15ClN4O/c1-2-7(5-16)12-10-14-8(6-3-4-6)13-9(11)15-10/h6-7,16H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyXNLHLXXWOMEFCZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.59
Rot. Bonds5

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

2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 154960709) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID154960709
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H15ClN4O/c1-2-7(5-16)12-10-14-8(6-3-4-6)13-9(11)15-10/h6-7,16H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyXNLHLXXWOMEFCZ-UHFFFAOYSA-N
XLogP1.59
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 154960709) is 2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol is CCC(CO)Nc1nc(Cl)nc(C2CC2)n1.
What is the InChIKey of 2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is XNLHLXXWOMEFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-2-7(5-16)12-10-14-8(6-3-4-6)13-9(11)15-10/h6-7,16H,2-5H2,1H3,(H,12,13,14,15).
What are the key properties of 2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 242.71 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-cyclopropyl-1,3,5-triazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 154960709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).