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

C9H12Cl2N6O2 — CID 59945576

IUPAC3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
SMILESNC(=O)CCN(CCC(N)=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N6O2/c10-7-14-8(11)16-9(15-7)17(3-1-5(12)18)4-2-6(13)19/h1-4H2,(H2,12,18)(H2,13,19)
InChIKeyGBZHTJKJSJCYBC-UHFFFAOYSA-N
MW307.14 g/mol
LogP-0.26
Rot. Bonds7

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

3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide (PubChem CID 59945576) has the molecular formula C9H12Cl2N6O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
PubChem CID59945576
Molecular FormulaC9H12Cl2N6O2
Molecular Weight307.14 g/mol
Exact Mass306.04
IUPAC Name3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
SMILESNC(=O)CCN(CCC(N)=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N6O2/c10-7-14-8(11)16-9(15-7)17(3-1-5(12)18)4-2-6(13)19/h1-4H2,(H2,12,18)(H2,13,19)
InChIKeyGBZHTJKJSJCYBC-UHFFFAOYSA-N
XLogP-0.26
TPSA128.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide?
The IUPAC name of 3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide (CID 59945576) is 3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide is NC(=O)CCN(CCC(N)=O)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide?
The InChIKey is GBZHTJKJSJCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N6O2/c10-7-14-8(11)16-9(15-7)17(3-1-5(12)18)4-2-6(13)19/h1-4H2,(H2,12,18)(H2,13,19).
What are the key properties of 3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide?
3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide has a molecular weight of 307.14 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide is sourced from PubChem (CID 59945576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).