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

C10H17ClN6O — CID 62863177

IUPAC3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCN(CC)c1nc(Cl)nc(NCCC(N)=O)n1
InChIInChI=1S/C10H17ClN6O/c1-3-17(4-2)10-15-8(11)14-9(16-10)13-6-5-7(12)18/h3-6H2,1-2H3,(H2,12,18)(H,13,14,15,16)
InChIKeyPNEFBXLIHZBECM-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.66
Rot. Bonds7

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

3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 62863177) has the molecular formula C10H17ClN6O and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID62863177
Molecular FormulaC10H17ClN6O
Molecular Weight272.74 g/mol
Exact Mass272.12
IUPAC Name3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCN(CC)c1nc(Cl)nc(NCCC(N)=O)n1
InChIInChI=1S/C10H17ClN6O/c1-3-17(4-2)10-15-8(11)14-9(16-10)13-6-5-7(12)18/h3-6H2,1-2H3,(H2,12,18)(H,13,14,15,16)
InChIKeyPNEFBXLIHZBECM-UHFFFAOYSA-N
XLogP0.66
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide (CID 62863177) is 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide is CCN(CC)c1nc(Cl)nc(NCCC(N)=O)n1.
What is the InChIKey of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is PNEFBXLIHZBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN6O/c1-3-17(4-2)10-15-8(11)14-9(16-10)13-6-5-7(12)18/h3-6H2,1-2H3,(H2,12,18)(H,13,14,15,16).
What are the key properties of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 272.74 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 62863177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).