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

C8H11Cl2N5O — CID 106098053

IUPAC3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H11Cl2N5O/c1-8(2,3-4(11)16)13-6-5(9)14-15-7(10)12-6/h3H2,1-2H3,(H2,11,16)(H,12,13,15)
InChIKeyVZVCCXLFFQAQGV-UHFFFAOYSA-N
MW264.12 g/mol
LogP1.24
Rot. Bonds4

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

3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide (PubChem CID 106098053) has the molecular formula C8H11Cl2N5O and a molecular weight of 264.12 g/mol. Its IUPAC name is 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
PubChem CID106098053
Molecular FormulaC8H11Cl2N5O
Molecular Weight264.12 g/mol
Exact Mass263.03
IUPAC Name3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H11Cl2N5O/c1-8(2,3-4(11)16)13-6-5(9)14-15-7(10)12-6/h3H2,1-2H3,(H2,11,16)(H,12,13,15)
InChIKeyVZVCCXLFFQAQGV-UHFFFAOYSA-N
XLogP1.24
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035680
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106098676
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
CID 106098081
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106279604
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098849
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681
2-[(3,6-dichloro-1,2,4-triazin-5-yl)-methylamino]acetamide
CID 81038148
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 106097326
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098039
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098699

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide (CID 106098053) is 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1nc(Cl)nnc1Cl.
What is the InChIKey of 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide?
The InChIKey is VZVCCXLFFQAQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N5O/c1-8(2,3-4(11)16)13-6-5(9)14-15-7(10)12-6/h3H2,1-2H3,(H2,11,16)(H,12,13,15).
What are the key properties of 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide?
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide has a molecular weight of 264.12 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106098053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).