1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide

C10H11ClN6O2 — CID 64781416

IUPAC1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
SMILESCCCOc1nc(Cl)nc(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H11ClN6O2/c1-2-3-19-10-15-8(11)14-9(16-10)17-5-6(4-13-17)7(12)18/h4-5H,2-3H2,1H3,(H2,12,18)
InChIKeyFMNQKKIVNLCDAT-UHFFFAOYSA-N
MW282.69 g/mol
LogP0.60
Rot. Bonds5

About 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide

1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide (PubChem CID 64781416) has the molecular formula C10H11ClN6O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
PubChem CID64781416
Molecular FormulaC10H11ClN6O2
Molecular Weight282.69 g/mol
Exact Mass282.06
IUPAC Name1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
SMILESCCCOc1nc(Cl)nc(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H11ClN6O2/c1-2-3-19-10-15-8(11)14-9(16-10)17-5-6(4-13-17)7(12)18/h4-5H,2-3H2,1H3,(H2,12,18)
InChIKeyFMNQKKIVNLCDAT-UHFFFAOYSA-N
XLogP0.60
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-bromopyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80853086
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657
2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 63685456
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868430
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 64781989
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279495
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 104561391
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine
CID 164655760

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide (CID 64781416) is 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide is CCCOc1nc(Cl)nc(-n2cc(C(N)=O)cn2)n1.
What is the InChIKey of 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide?
The InChIKey is FMNQKKIVNLCDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O2/c1-2-3-19-10-15-8(11)14-9(16-10)17-5-6(4-13-17)7(12)18/h4-5H,2-3H2,1H3,(H2,12,18).
What are the key properties of 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide?
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide has a molecular weight of 282.69 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 64781416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).