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

C8H14ClN5O — CID 15818023

IUPAC2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCNc1nc(Cl)nc(NC(C)CO)n1
InChIInChI=1S/C8H14ClN5O/c1-3-10-7-12-6(9)13-8(14-7)11-5(2)4-15/h5,15H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyPQOIZBRRWJWKAC-UHFFFAOYSA-N
MW231.69 g/mol
LogP0.75
Rot. Bonds5

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

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 15818023) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID15818023
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCNc1nc(Cl)nc(NC(C)CO)n1
InChIInChI=1S/C8H14ClN5O/c1-3-10-7-12-6(9)13-8(14-7)11-5(2)4-15/h5,15H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyPQOIZBRRWJWKAC-UHFFFAOYSA-N
XLogP0.75
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 15818023) is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is CCNc1nc(Cl)nc(NC(C)CO)n1.
What is the InChIKey of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is PQOIZBRRWJWKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O/c1-3-10-7-12-6(9)13-8(14-7)11-5(2)4-15/h5,15H,3-4H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 231.69 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 15818023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).