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

C10H13ClN8O — CID 106346838

IUPAC2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc(Cl)nc(-n2cncn2)n1)C(N)=O
InChIInChI=1S/C10H13ClN8O/c1-5(2)6(7(12)20)15-9-16-8(11)17-10(18-9)19-4-13-3-14-19/h3-6H,1-2H3,(H2,12,20)(H,15,16,17,18)
InChIKeySOBNHOAEJAOCJH-UHFFFAOYSA-N
MW296.72 g/mol
LogP0.03
Rot. Bonds5

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

2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide (PubChem CID 106346838) has the molecular formula C10H13ClN8O and a molecular weight of 296.72 g/mol. Its IUPAC name is 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
PubChem CID106346838
Molecular FormulaC10H13ClN8O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc(Cl)nc(-n2cncn2)n1)C(N)=O
InChIInChI=1S/C10H13ClN8O/c1-5(2)6(7(12)20)15-9-16-8(11)17-10(18-9)19-4-13-3-14-19/h3-6H,1-2H3,(H2,12,20)(H,15,16,17,18)
InChIKeySOBNHOAEJAOCJH-UHFFFAOYSA-N
XLogP0.03
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide with MolForge

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Related Compounds

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106346837
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 79247433
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106352573
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 62863509
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 62864218
2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80788657
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106192337
4-chloro-N-(2-methylsulfanylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 113466848
2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide
CID 106240091
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 62864023
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 62863952

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide (CID 106346838) is 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide is CC(C)C(Nc1nc(Cl)nc(-n2cncn2)n1)C(N)=O.
What is the InChIKey of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide?
The InChIKey is SOBNHOAEJAOCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN8O/c1-5(2)6(7(12)20)15-9-16-8(11)17-10(18-9)19-4-13-3-14-19/h3-6H,1-2H3,(H2,12,20)(H,15,16,17,18).
What are the key properties of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide?
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide has a molecular weight of 296.72 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106346838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).