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

C11H14ClN7O — CID 106346837

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc(Cl)nc(-n2cccn2)n1)C(N)=O
InChIInChI=1S/C11H14ClN7O/c1-6(2)7(8(13)20)15-10-16-9(12)17-11(18-10)19-5-3-4-14-19/h3-7H,1-2H3,(H2,13,20)(H,15,16,17,18)
InChIKeyMXQWSMXVECTMCD-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.63
Rot. Bonds5

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

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide (PubChem CID 106346837) has the molecular formula C11H14ClN7O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
PubChem CID106346837
Molecular FormulaC11H14ClN7O
Molecular Weight295.73 g/mol
Exact Mass295.09
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc(Cl)nc(-n2cccn2)n1)C(N)=O
InChIInChI=1S/C11H14ClN7O/c1-6(2)7(8(13)20)15-10-16-9(12)17-11(18-10)19-5-3-4-14-19/h3-7H,1-2H3,(H2,13,20)(H,15,16,17,18)
InChIKeyMXQWSMXVECTMCD-UHFFFAOYSA-N
XLogP0.63
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
CID 106346838
ethyl 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 62864276
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279537
4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106389489
2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80787468
4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62864902
4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine
CID 62863151
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863010
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide (CID 106346837) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide is CC(C)C(Nc1nc(Cl)nc(-n2cccn2)n1)C(N)=O.
What is the InChIKey of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The InChIKey is MXQWSMXVECTMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O/c1-6(2)7(8(13)20)15-10-16-9(12)17-11(18-10)19-5-3-4-14-19/h3-7H,1-2H3,(H2,13,20)(H,15,16,17,18).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide has a molecular weight of 295.73 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106346837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).