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

C9H13Cl2N5O — CID 81036335

IUPAC2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H13Cl2N5O/c1-3-4-12-8(17)5(2)13-7-6(10)15-16-9(11)14-7/h5H,3-4H2,1-2H3,(H,12,17)(H,13,14,16)
InChIKeyLDYUTMOGDJJMMF-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.50
Rot. Bonds5

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

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide (PubChem CID 81036335) has the molecular formula C9H13Cl2N5O and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
PubChem CID81036335
Molecular FormulaC9H13Cl2N5O
Molecular Weight278.14 g/mol
Exact Mass277.05
IUPAC Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H13Cl2N5O/c1-3-4-12-8(17)5(2)13-7-6(10)15-16-9(11)14-7/h5H,3-4H2,1-2H3,(H,12,17)(H,13,14,16)
InChIKeyLDYUTMOGDJJMMF-UHFFFAOYSA-N
XLogP1.50
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide
CID 103321007
2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide
CID 62683434
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801182
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 83152529
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234
2-[(3-carbamothioyl-2-pyridinyl)amino]-N-propylpropanamide
CID 54958501
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
CID 79081259
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
CID 83103198
2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 79399138
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide (CID 81036335) is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc(Cl)nnc1Cl.
What is the InChIKey of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide?
The InChIKey is LDYUTMOGDJJMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N5O/c1-3-4-12-8(17)5(2)13-7-6(10)15-16-9(11)14-7/h5H,3-4H2,1-2H3,(H,12,17)(H,13,14,16).
What are the key properties of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide?
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide has a molecular weight of 278.14 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 81036335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).